Molecule:100493: Difference between revisions

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molecule
(auto-generated)
Tags: Manual revert Reverted
(auto-generated)
Tags: Manual revert Reverted
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|moleculeKey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
|moleculeKey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-07072219222D
   -INDIGO-12132211312D


   0  0  0  0  0  0  0  0  0  0  0 V3000
   0  0  0  0  0  0  0  0  0  0  0 V3000
Line 17: Line 17:
M  V30 COUNTS 48 56 0 0 0
M  V30 COUNTS 48 56 0 0 0
M  V30 BEGIN ATOM
M  V30 BEGIN ATOM
M  V30 1 C 5.9 -3.89999 0.0 0
M  V30 1 C 4.03719 -4.80901 0.0 0
M  V30 2 C 6.76601 -4.39999 0.0 0
M  V30 2 C 5.71793 -4.68897 0.0 0
M  V30 3 C 6.76601 -5.40001 0.0 0
M  V30 3 C 4.869 -4.26093 0.0 0
M  V30 4 C 5.9 -5.90001 0.0 0
M  V30 4 C 5.76956 -5.7007 0.0 0
M  V30 5 C 5.03399 -5.40001 0.0 0
M  V30 5 C 4.0675 -5.8505 0.0 0
M  V30 6 C 5.03399 -4.39999 0.0 0
M  V30 6 C 4.95944 -6.25414 0.0 0
M  V30 7 N 7.63206 -3.89996 0.0 0
M  V30 7 N 6.5454 -4.05737 0.0 0
M  V30 8 C 8.49811 -4.39995 0.0 0
M  V30 8 C 7.43541 -4.62039 0.0 0
M  V30 9 C 8.49811 -5.39996 0.0 0
M  V30 9 O 6.65215 -6.129 0.0 0
M  V30 10 O 7.63206 -5.89999 0.0 0
M  V30 10 C 7.47698 -5.62566 0.0 0
M  V30 11 C 9.36417 -3.89992 0.0 0
M  V30 11 C 8.25686 -4.11474 0.0 0
M  V30 12 C 10.2302 -4.3999 0.0 0
M  V30 12 C 9.13626 -4.57924 0.0 0
M  V30 13 C 10.2302 -5.39992 0.0 0
M  V30 13 C 8.35546 -6.09691 0.0 0
M  V30 14 C 9.36417 -5.89995 0.0 0
M  V30 14 C 9.219 -5.58639 0.0 0
M  V30 15 C 7.63204 -2.89996 0.0 0
M  V30 15 C 10.086 -6.21901 0.0 0
M  V30 16 C 6.76603 -2.39996 0.0 0
M  V30 16 C 11.818 -6.52553 0.0 0
M  V30 17 C 6.76603 -1.39994 0.0 0
M  V30 17 C 11.0202 -5.88473 0.0 0
M  V30 18 C 7.63204 -0.899934 0.0 0
M  V30 18 C 11.6894 -7.5674 0.0 0
M  V30 19 C 8.49806 -1.39994 0.0 0
M  V30 19 C 9.96793 -7.22097 0.0 0
M  V30 20 C 8.49806 -2.39996 0.0 0
M  V30 20 C 10.7678 -7.87388 0.0 0
M  V30 21 C 9.36411 -0.899912 0.0 0
M  V30 21 C 12.5001 -8.25494 0.0 0
M  V30 22 C 10.2302 -1.3999 0.0 0
M  V30 22 C 14.1899 -8.61261 0.0 0
M  V30 23 C 10.2302 -2.39991 0.0 0
M  V30 23 C 13.4337 -7.96627 0.0 0
M  V30 24 C 9.36411 -2.89994 0.0 0
M  V30 24 C 14.0381 -9.5616 0.0 0
M  V30 25 C 4.16796 -5.9 0.0 0
M  V30 25 C 12.3633 -9.2953 0.0 0
M  V30 26 C 11.0962 -5.89991 0.0 0
M  V30 26 C 13.1489 -9.91797 0.0 0
M  V30 27 C 4.16795 -6.89999 0.0 0
M  V30 27 C 1.69302 -6.99297 0.0 0
M  V30 28 C 3.30191 -7.4 0.0 0
M  V30 28 C 3.30886 -6.48918 0.0 0
M  V30 29 C 2.43588 -6.90002 0.0 0
M  V30 29 C 2.39038 -6.28041 0.0 0
M  V30 30 C 2.4359 -5.90002 0.0 0
M  V30 30 C 3.55288 -7.47778 0.0 0
M  V30 31 C 3.30193 -5.40002 0.0 0
M  V30 31 C 1.94211 -7.97398 0.0 0
M  V30 32 C 11.9623 -5.39993 0.0 0
M  V30 32 C 2.85841 -8.18925 0.0 0
M  V30 33 C 12.8283 -5.89994 0.0 0
M  V30 33 C -0.364828 -9.10174 0.0 0
M  V30 34 C 12.8283 -6.89993 0.0 0
M  V30 34 C 1.25547 -8.6624 0.0 0
M  V30 35 C 11.9623 -7.39991 0.0 0
M  V30 35 C 0.342485 -8.42423 0.0 0
M  V30 36 C 11.0963 -6.89991 0.0 0
M  V30 36 C 1.47751 -9.6572 0.0 0
M  V30 37 C 1.56986 -7.40002 0.0 0
M  V30 37 C -0.151173 -10.0352 0.0 0
M  V30 38 C 13.6943 -7.39993 0.0 0
M  V30 38 C 0.76444 -10.3236 0.0 0
M  V30 39 C 1.56984 -8.40001 0.0 0
M  V30 39 C 5.63752 -1.25497 0.0 0
M  V30 40 C 0.703806 -8.90002 0.0 0
M  V30 40 C 7.3359 -1.26278 0.0 0
M  V30 41 C -0.162219 -8.40003 0.0 0
M  V30 41 C 6.48221 -0.779005 0.0 0
M  V30 42 C -0.162206 -7.40004 0.0 0
M  V30 42 C 7.34346 -2.28039 0.0 0
M  V30 43 C 0.703832 -6.90003 0.0 0
M  V30 43 C 5.61899 -2.27884 0.0 0
M  V30 44 C 14.5604 -6.89994 0.0 0
M  V30 44 C 6.50104 -2.87031 0.0 0
M  V30 45 C 15.4264 -7.39995 0.0 0
M  V30 45 C 8.17669 -0.755127 0.0 0
M  V30 46 C 15.4264 -8.39994 0.0 0
M  V30 46 C 9.03041 -1.24419 0.0 0
M  V30 47 C 14.5604 -8.89993 0.0 0
M  V30 47 C 8.20106 -2.73313 0.0 0
M  V30 48 C 13.6944 -8.39992 0.0 0
M  V30 48 C 9.03418 -2.21637 0.0 0
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 1 2 3 1
M  V30 2 2 2 3
M  V30 2 2 4 2
M  V30 3 1 3 4
M  V30 3 1 1 5
M  V30 4 2 4 5
M  V30 4 1 2 3
M  V30 5 1 5 6
M  V30 5 2 5 6
M  V30 6 2 6 1
M  V30 6 1 6 4
M  V30 7 1 2 7
M  V30 7 1 8 7
M  V30 8 1 7 8
M  V30 8 1 4 9
M  V30 9 1 8 9
M  V30 9 1 7 2
M  V30 10 1 9 10
M  V30 10 1 9 10
M  V30 11 1 10 3
M  V30 11 2 10 8
M  V30 12 2 8 11
M  V30 12 2 12 11
M  V30 13 1 11 12
M  V30 13 1 10 13
M  V30 14 2 12 13
M  V30 14 1 11 8
M  V30 15 1 13 14
M  V30 15 2 13 14
M  V30 16 2 14 9
M  V30 16 1 14 12
M  V30 17 1 7 15
M  V30 17 2 17 15
M  V30 18 1 15 16
M  V30 18 2 18 16
M  V30 19 2 16 17
M  V30 19 1 15 19
M  V30 20 1 17 18
M  V30 20 1 16 17
M  V30 21 2 18 19
M  V30 21 2 19 20
M  V30 22 1 19 20
M  V30 22 1 20 18
M  V30 23 2 20 15
M  V30 23 2 23 21
M  V30 24 1 19 21
M  V30 24 2 24 22
M  V30 25 2 21 22
M  V30 25 1 21 25
M  V30 26 1 22 23
M  V30 26 1 22 23
M  V30 27 2 23 24
M  V30 27 2 25 26
M  V30 28 1 24 20
M  V30 28 1 26 24
M  V30 29 1 5 25
M  V30 29 2 29 27
M  V30 30 1 13 26
M  V30 30 2 30 28
M  V30 31 1 25 27
M  V30 31 1 27 31
M  V30 32 2 27 28
M  V30 32 1 28 29
M  V30 33 1 28 29
M  V30 33 2 31 32
M  V30 34 2 29 30
M  V30 34 1 32 30
M  V30 35 1 30 31
M  V30 35 2 35 33
M  V30 36 2 31 25
M  V30 36 2 36 34
M  V30 37 1 26 32
M  V30 37 1 33 37
M  V30 38 2 32 33
M  V30 38 1 34 35
M  V30 39 1 33 34
M  V30 39 2 37 38
M  V30 40 2 34 35
M  V30 40 1 38 36
M  V30 41 1 35 36
M  V30 41 2 41 39
M  V30 42 2 36 26
M  V30 42 2 42 40
M  V30 43 1 29 37
M  V30 43 1 39 43
M  V30 44 1 34 38
M  V30 44 1 40 41
M  V30 45 1 37 39
M  V30 45 2 43 44
M  V30 46 2 39 40
M  V30 46 1 44 42
M  V30 47 1 40 41
M  V30 47 2 46 45
M  V30 48 2 41 42
M  V30 48 1 42 47
M  V30 49 1 42 43
M  V30 49 1 45 40
M  V30 50 2 43 37
M  V30 50 2 47 48
M  V30 51 1 38 44
M  V30 51 1 48 46
M  V30 52 2 44 45
M  V30 52 1 5 28
M  V30 53 1 45 46
M  V30 53 1 31 34
M  V30 54 2 46 47
M  V30 54 1 14 15
M  V30 55 1 47 48
M  V30 55 1 18 21
M  V30 56 2 48 38
M  V30 56 1 7 44
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|smiles=C1=CC(C2=CC=C(C3=CC=CC=C3)C=C2)=CC2OC3=CC(C4=CC=C(C5=CC=CC=C5)C=C4)=CC=C3N(C3=C4C=CC=CC4=CC=C3)C1=2
|smiles=C1C(C2C=CC(C3C=CC=CC=3)=CC=2)=CC2OC3C=C(C4C=CC(C5C=CC=CC=5)=CC=4)C=CC=3N(C3C4C=CC=CC=4C=CC=3)C=2C=1
|inchi=1S/C46H31NO/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)39-26-28-43-45(30-39)48-46-31-40(37-24-20-35(21-25-37)33-12-5-2-6-13-33)27-29-44(46)47(43)42-17-9-15-38-14-7-8-16-41(38)42/h1-31H
|inchi=1S/C46H31NO/c1-3-10-32(11-4-1)34-18-22-36(23-19-34)39-26-28-43-45(30-39)48-46-31-40(37-24-20-35(21-25-37)33-12-5-2-6-13-33)27-29-44(46)47(43)42-17-9-15-38-14-7-8-16-41(38)42/h1-31H
|inchikey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
|inchikey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N

Revision as of 16:53, 4 January 2024

Properties
CID 129057445
CAS 1987900-95-7
IUPAC-Name 10-naphthalen-1-yl-3,7-bis(4-phenylphenyl)phenoxazine
Abbreviation Phen2
Trivialname 37-di(11'-biphenyl-4-yl)-10-(naphthalen-1-yl)-10h-phenoxazine
Exact mass 613.240564612
Molecular formula C46H31NO
LogP n/a
Has vendors true
Molecular role n/a
Synonyms 37-di(11'-biphenyl-4-yl)-10-(naphthalen-1-yl)-10h-phenoxazine,heno_1naph_biph,schembl18770801,at25798,cs-0105661,j3.651.780h,37-bis(biphenyl-4-yl)-10-(1-naphthyl)-10h-phenoxazine,37-di(4-biphenyl) 1-naphthalene-10-phenoxazine >=97%,37-di(11 inverted exclamation marka-biphenyl-4-yl)-10-(naphthalen-1-yl)-10h-phenoxazine

3,7-Di((1,1'-biphenyl)-4-yl)-10-(naphthalen-1-yl)-10H-phenoxazine


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