C190H142BBrI7N14O2V- — CID 159701173
2-bromo-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;diiodomethane;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;N-[4-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;iodoform;iodomethane;iodomethane;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid;vanadium (PubChem CID 159701173) has the molecular formula C190H142BBrI7N14O2V- and a molecular weight of 3683.31 g/mol. Its IUPAC name is 2-bromo-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;diiodomethane;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;N-[4-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;iodoform;iodomethane;iodomethane;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid;vanadium.
| Compound Name | 2-bromo-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;diiodomethane;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;N-[4-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;iodoform;iodomethane;iodomethane;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid;vanadium |
|---|---|
| PubChem CID | 159701173 |
| Molecular Formula | C190H142BBrI7N14O2V- |
| Molecular Weight | 3683.31 g/mol |
| Exact Mass | 3680.35 |
| IUPAC Name | 2-bromo-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;diiodomethane;5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;N-[4-[5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;iodoform;iodomethane;iodomethane;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid;vanadium |
| SMILES | CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc5)ccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(Br)ccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3cc21.CI.IC(I)I.ICI.OB(O)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.[CH2-]I.[V] |
| InChI | InChI=1S/C72H51N5.C42H29BrN4.C42H30N4.C30H24BNO2.CHI3.CH2I2.CH3I.CH2I.V/c1-72(2)65-29-16-15-28-61(65)62-46-64-63-45-55(52-34-41-59(42-35-52)76(57-37-30-50(31-38-57)48-18-7-3-8-19-48)58-39-32-51(33-40-58)49-20-9-4-10-21-49)36-43-67(63)77(68(64)47-66(62)72)60-27-17-26-56(44-60)71-74-69(53-22-11-5-12-23-53)73-70(75-71)54-24-13-6-14-25-54;1-42(2)35-19-10-9-18-31(35)32-24-34-33-23-29(43)20-21-37(33)47(38(34)25-36(32)42)30-17-11-16-28(22-30)41-45-39(26-12-5-3-6-13-26)44-40(46-41)27-14-7-4-8-15-27;1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28;33-31(34)27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;2-1(3)4;2-1-3;2*1-2;/h3-47H,1-2H3;3-25H,1-2H3;3-26H,1-2H3;1-22,33-34H;1H;1H2;1H3;1H2;/q;;;;;;;-1; |
| InChIKey | BUIRHZGSZCHSCG-UHFFFAOYSA-N |
| XLogP | 52.88 |
| TPSA | 177.74 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 216 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3683.31 |
| LogP ≤ 5 | 52.88 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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