Molecule:100493: Difference between revisions

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molecule
(auto-generated)
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(auto-generated)
Tag: Reverted
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|moleculeKey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
|moleculeKey=IGGSSEOAGCUGDJ-UHFFFAOYSA-N
|molOrRxn=
|molOrRxn=
   -INDIGO-12132211312D
   -INDIGO-01042421392D


   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 4.03719 -4.80901 0.0 0
M  V30 1 C 9.13485 -5.55007 0.0 0
M  V30 2 C 5.71793 -4.68897 0.0 0
M  V30 2 C 10.8652 -5.54959 0.0 0
M  V30 3 C 4.869 -4.26093 0.0 0
M  V30 3 C 10.0016 -5.04997 0.0 0
M  V30 4 C 5.76956 -5.7007 0.0 0
M  V30 4 C 10.8652 -6.55053 0.0 0
M  V30 5 C 4.0675 -5.8505 0.0 0
M  V30 5 C 9.13485 -6.55502 0.0 0
M  V30 6 C 4.95944 -6.25414 0.0 0
M  V30 6 C 10.0038 -7.05003 0.0 0
M  V30 7 N 6.5454 -4.05737 0.0 0
M  V30 7 N 11.7296 -5.05121 0.0 0
M  V30 8 C 7.43541 -4.62039 0.0 0
M  V30 8 C 12.5968 -5.55155 0.0 0
M  V30 9 O 6.65215 -6.129 0.0 0
M  V30 9 O 11.7358 -7.05287 0.0 0
M  V30 10 C 7.47698 -5.62566 0.0 0
M  V30 10 C 12.599 -6.54746 0.0 0
M  V30 11 C 8.25686 -4.11474 0.0 0
M  V30 11 C 13.4559 -5.05378 0.0 0
M  V30 12 C 9.13626 -4.57924 0.0 0
M  V30 12 C 14.3198 -5.54969 0.0 0
M  V30 13 C 8.35546 -6.09691 0.0 0
M  V30 13 C 13.4664 -7.04535 0.0 0
M  V30 14 C 9.219 -5.58639 0.0 0
M  V30 14 C 14.3242 -6.54059 0.0 0
M  V30 15 C 10.086 -6.21901 0.0 0
M  V30 15 C 11.7298 -4.05121 0.0 0
M  V30 16 C 11.818 -6.52553 0.0 0
M  V30 16 C 10.8632 -2.55355 0.0 0
M  V30 17 C 11.0202 -5.88473 0.0 0
M  V30 17 C 10.863 -3.55119 0.0 0
M  V30 18 C 11.6894 -7.5674 0.0 0
M  V30 18 C 11.7298 -2.0525 0.0 0
M  V30 19 C 9.96793 -7.22097 0.0 0
M  V30 19 C 12.5998 -3.54816 0.0 0
M  V30 20 C 10.7678 -7.87388 0.0 0
M  V30 20 C 12.5933 -2.5481 0.0 0
M  V30 21 C 12.5001 -8.25494 0.0 0
M  V30 21 C 13.4538 -2.04459 0.0 0
M  V30 22 C 14.1899 -8.61261 0.0 0
M  V30 22 C 14.3235 -2.53888 0.0 0
M  V30 23 C 13.4337 -7.96627 0.0 0
M  V30 23 C 13.4729 -4.04443 0.0 0
M  V30 24 C 14.0381 -9.5616 0.0 0
M  V30 24 C 14.3321 -3.53389 0.0 0
M  V30 25 C 12.3633 -9.2953 0.0 0
M  V30 25 C 15.1934 -7.03507 0.0 0
M  V30 26 C 13.1489 -9.91797 0.0 0
M  V30 26 C 8.27028 -7.05753 0.0 0
M  V30 27 C 1.69302 -6.99297 0.0 0
M  V30 27 C 7.40655 -8.55683 0.0 0
M  V30 28 C 3.30886 -6.48918 0.0 0
M  V30 28 C 8.27066 -8.05824 0.0 0
M  V30 29 C 2.39038 -6.28041 0.0 0
M  V30 29 C 6.53937 -8.05694 0.0 0
M  V30 30 C 3.55288 -7.47778 0.0 0
M  V30 30 C 7.39963 -6.55564 0.0 0
M  V30 31 C 1.94211 -7.97398 0.0 0
M  V30 31 C 6.53679 -7.06126 0.0 0
M  V30 32 C 2.85841 -8.18925 0.0 0
M  V30 32 C 16.9237 -7.03342 0.0 0
M  V30 33 C -0.364828 -9.10174 0.0 0
M  V30 33 C 16.0598 -6.53438 0.0 0
M  V30 34 C 1.25547 -8.6624 0.0 0
M  V30 34 C 16.9244 -8.03437 0.0 0
M  V30 35 C 0.342485 -8.42423 0.0 0
M  V30 35 C 15.1941 -8.04002 0.0 0
M  V30 36 C 1.47751 -9.6572 0.0 0
M  V30 36 C 16.0634 -8.53445 0.0 0
M  V30 37 C -0.151173 -10.0352 0.0 0
M  V30 37 C 17.7912 -8.53295 0.0 0
M  V30 38 C 0.76444 -10.3236 0.0 0
M  V30 38 C 5.67416 -8.55836 0.0 0
M  V30 39 C 5.63752 -1.25497 0.0 0
M  V30 39 C 19.5215 -8.53131 0.0 0
M  V30 40 C 7.3359 -1.26278 0.0 0
M  V30 40 C 18.6576 -8.03226 0.0 0
M  V30 41 C 6.48221 -0.779005 0.0 0
M  V30 41 C 19.5222 -9.53225 0.0 0
M  V30 42 C 7.34346 -2.28039 0.0 0
M  V30 42 C 17.7919 -9.5379 0.0 0
M  V30 43 C 5.61899 -2.27884 0.0 0
M  V30 43 C 18.6612 -10.0323 0.0 0
M  V30 44 C 6.50104 -2.87031 0.0 0
M  V30 44 C 4.81044 -10.0577 0.0 0
M  V30 45 C 8.17669 -0.755127 0.0 0
M  V30 45 C 5.67455 -9.55907 0.0 0
M  V30 46 C 9.03041 -1.24419 0.0 0
M  V30 46 C 3.94326 -9.55777 0.0 0
M  V30 47 C 8.20106 -2.73313 0.0 0
M  V30 47 C 4.80352 -8.05647 0.0 0
M  V30 48 C 9.03418 -2.21637 0.0 0
M  V30 48 C 3.94068 -8.56209 0.0 0
M  V30 END ATOM
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 BEGIN BOND
Line 83: Line 83:
M  V30 15 2 13 14
M  V30 15 2 13 14
M  V30 16 1 14 12
M  V30 16 1 14 12
M  V30 17 2 17 15
M  V30 17 1 7 15
M  V30 18 2 18 16
M  V30 18 2 17 15
M  V30 19 1 15 19
M  V30 19 2 18 16
M  V30 20 1 16 17
M  V30 20 1 15 19
M  V30 21 2 19 20
M  V30 21 1 16 17
M  V30 22 1 20 18
M  V30 22 2 19 20
M  V30 23 2 23 21
M  V30 23 1 20 18
M  V30 24 2 24 22
M  V30 24 2 22 21
M  V30 25 1 21 25
M  V30 25 1 19 23
M  V30 26 1 22 23
M  V30 26 1 21 20
M  V30 27 2 25 26
M  V30 27 2 23 24
M  V30 28 1 26 24
M  V30 28 1 24 22
M  V30 29 2 29 27
M  V30 29 1 14 25
M  V30 30 2 30 28
M  V30 30 1 5 26
M  V30 31 1 27 31
M  V30 31 2 28 26
M  V30 32 1 28 29
M  V30 32 2 29 27
M  V30 33 2 31 32
M  V30 33 1 26 30
M  V30 34 1 32 30
M  V30 34 1 27 28
M  V30 35 2 35 33
M  V30 35 2 30 31
M  V30 36 2 36 34
M  V30 36 1 31 29
M  V30 37 1 33 37
M  V30 37 2 33 25
M  V30 38 1 34 35
M  V30 38 2 34 32
M  V30 39 2 37 38
M  V30 39 1 25 35
M  V30 40 1 38 36
M  V30 40 1 32 33
M  V30 41 2 41 39
M  V30 41 2 35 36
M  V30 42 2 42 40
M  V30 42 1 36 34
M  V30 43 1 39 43
M  V30 43 1 34 37
M  V30 44 1 40 41
M  V30 44 1 29 38
M  V30 45 2 43 44
M  V30 45 2 40 37
M  V30 46 1 44 42
M  V30 46 2 41 39
M  V30 47 2 46 45
M  V30 47 1 37 42
M  V30 48 1 42 47
M  V30 48 1 39 40
M  V30 49 1 45 40
M  V30 49 2 42 43
M  V30 50 2 47 48
M  V30 50 1 43 41
M  V30 51 1 48 46
M  V30 51 2 45 38
M  V30 52 1 5 28
M  V30 52 2 46 44
M  V30 53 1 31 34
M  V30 53 1 38 47
M  V30 54 1 14 15
M  V30 54 1 44 45
M  V30 55 1 18 21
M  V30 55 2 47 48
M  V30 56 1 7 44
M  V30 56 1 48 46
M  V30 END BOND
M  V30 END BOND
M  V30 END CTAB
M  V30 END CTAB
M  END
M  END
|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
|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

Revision as of 21:40, 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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