C121H108Br2Cl4I5K2N10PtV — CID 160844694
2-bromo-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-(3-bromophenyl)pyridine;N,N'-dimethylethane-1,2-diamine;7,7-dimethyl-5-phenyl-N,N-bis(3-pyridin-2-ylphenyl)indeno[2,1-b]carbazol-2-amine;7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine;iodomethane;methane;potassiopotassium;tetrachloroplatinum;triiodovanadium (PubChem CID 160844694) has the molecular formula C121H108Br2Cl4I5K2N10PtV and a molecular weight of 2962.62 g/mol. Its IUPAC name is 2-bromo-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-(3-bromophenyl)pyridine;N,N'-dimethylethane-1,2-diamine;7,7-dimethyl-5-phenyl-N,N-bis(3-pyridin-2-ylphenyl)indeno[2,1-b]carbazol-2-amine;7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine;iodomethane;methane;potassiopotassium;tetrachloroplatinum;triiodovanadium.
| Compound Name | 2-bromo-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-(3-bromophenyl)pyridine;N,N'-dimethylethane-1,2-diamine;7,7-dimethyl-5-phenyl-N,N-bis(3-pyridin-2-ylphenyl)indeno[2,1-b]carbazol-2-amine;7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine;iodomethane;methane;potassiopotassium;tetrachloroplatinum;triiodovanadium |
|---|---|
| PubChem CID | 160844694 |
| Molecular Formula | C121H108Br2Cl4I5K2N10PtV |
| Molecular Weight | 2962.62 g/mol |
| Exact Mass | 2956.95 |
| IUPAC Name | 2-bromo-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole;2-(3-bromophenyl)pyridine;N,N'-dimethylethane-1,2-diamine;7,7-dimethyl-5-phenyl-N,N-bis(3-pyridin-2-ylphenyl)indeno[2,1-b]carbazol-2-amine;7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-amine;iodomethane;methane;potassiopotassium;tetrachloroplatinum;triiodovanadium |
| SMILES | Brc1cccc(-c2ccccn2)c1.C.CC1(C)c2ccccc2-c2cc3c4cc(Br)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(N(c5cccc(-c6ccccn6)c5)c5cccc(-c6ccccn6)c5)ccc4n(-c4ccccc4)c3cc21.CC1(C)c2ccccc2-c2cc3c4cc(N)ccc4n(-c4ccccc4)c3cc21.CI.CI.CNCCNC.Cl[Pt](Cl)(Cl)Cl.I[V](I)I.[K][K] |
| InChI | InChI=1S/C49H36N4.C27H20BrN.C27H22N2.C11H8BrN.C4H12N2.2CH3I.CH4.4ClH.3HI.2K.Pt.V/c1-49(2)43-21-7-6-20-39(43)40-31-42-41-30-38(24-25-47(41)53(48(42)32-44(40)49)35-16-4-3-5-17-35)52(36-18-12-14-33(28-36)45-22-8-10-26-50-45)37-19-13-15-34(29-37)46-23-9-11-27-51-46;2*1-27(2)23-11-7-6-10-19(23)20-15-22-21-14-17(28)12-13-25(21)29(26(22)16-24(20)27)18-8-4-3-5-9-18;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;1-5-3-4-6-2;2*1-2;;;;;;;;;;;;/h3-32H,1-2H3;3-16H,1-2H3;3-16H,28H2,1-2H3;1-8H;5-6H,3-4H2,1-2H3;2*1H3;1H4;7*1H;;;;/q;;;;;;;;;;;;;;;;;+4;+3/p-7 |
| InChIKey | SIMJPIOWSJFIJZ-UHFFFAOYSA-G |
| XLogP | 37.53 |
| TPSA | 106.78 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 146 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2962.62 |
| LogP ≤ 5 | 37.53 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'} |
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