Molecule:100908: Difference between revisions
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molecule
(auto-generated) Tag: Reverted |
(auto-generated) Tag: Manual revert |
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| Line 2: | Line 2: | ||
|trivialname= | |trivialname= | ||
|abbrev= | |abbrev= | ||
|molecularFormula= | |molecularFormula=C<sub>102</sub>H<sub>78</sub>B<sub>2</sub>Cu<sub>2</sub>F<sub>8</sub>N<sub>8</sub>O<sub>2</sub>P<sub>4</sub> | ||
|molecularMass= | |molecularMass=1870.384851816 | ||
|synonyms= | |synonyms= | ||
|hasVendors= | |hasVendors= | ||
|moleculeKey=LMWHUTMATFLCSY-UHFFFAOYSA-R | |moleculeKey=LMWHUTMATFLCSY-UHFFFAOYSA-R | ||
|molOrRxn= | |molOrRxn= | ||
-INDIGO- | -INDIGO-04032416132D | ||
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 295: | Line 295: | ||
M V30 END CTAB | M V30 END CTAB | ||
M END | M END | ||
|smiles=F[B-](F)(F)F.F[B-](F)(F)F.N12~[Cu+]3(~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4C(OC5C=CC=CC=5P~3(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC=4)~N3C(=CN(CC4C=C(CN5N=N6~[Cu+]7(~P(C8C=CC=CC=8)(C8C=CC=CC=8)C8C(OC9C=CC=CC=9P~7(C7C=CC=CC=7)C7C=CC=CC=7)=CC=CC=8)~N7C(C6=C5)=CC=C5C=CC=CC=75)C=CC=4)N=3)C1=CC=C1C=CC=CC=21 | |smiles=F[B-](F)(F)F.F[B-](F)(F)F.N12~[Cu+]3(~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4C(OC5C=CC=CC=5P~3(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC=4)~N3C(=CN(CC4C=C(CN5N=N6~[Cu+]7(~P(C8C=CC=CC=8)(C8C=CC=CC=8)C8C(OC9C=CC=CC=9P~7(C7C=CC=CC=7)C7C=CC=CC=7)=CC=CC=8)~N7C(C6=C5)=CC=C5C=CC=CC=75)C=CC=4)N=3)C1=CC=C1C=CC=CC=21 | ||
|inchi=1S/2C36H28OP2.C30H22N8.2BF4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-3-10-25-23(8-1)12-14-27(31-25)29-19-37(35-33-29)17-21-6-5-7-22(16-21)18-38-20-30(34-36-38)28-15-13-24-9-2-4-11-26(24)32-28;2*2-1(3,4)5;;/h2*1-28H;1-16,19-20H,17-18H2;;;;/q;;;4*-1/p+4 | |inchi=1S/2C36H28OP2.C30H22N8.2BF4.2Cu/c2*1-5-17-29(18-6-1)38(30-19-7-2-8-20-30)35-27-15-13-25-33(35)37-34-26-14-16-28-36(34)39(31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-3-10-25-23(8-1)12-14-27(31-25)29-19-37(35-33-29)17-21-6-5-7-22(16-21)18-38-20-30(34-36-38)28-15-13-24-9-2-4-11-26(24)32-28;2*2-1(3,4)5;;/h2*1-28H;1-16,19-20H,17-18H2;;;;/q;;;4*-1/p+4 | ||
Latest revision as of 09:08, 16 April 2024
| Properties | |
|---|---|
| CID | n/a |
| CAS | n/a |
| IUPAC-Name | n/a |
| Abbreviation | n/a |
| Trivialname | n/a |
| Exact mass | 1870.384851816 |
| Molecular formula | C102H78B2Cu2F8N8O2P4 |
| LogP | n/a |
| Has vendors | n/a |
| Molecular role | n/a |
| Synonyms | n/a |
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