C212H149Br4ClIN12OP3-2 — CID 159651398
5,10-bis(4-bromophenyl)indolo[3,2-b]indole;1-bromo-4-iodobenzene;10-(4-bromophenyl)-5-(4-carbazol-9-ylphenyl)indolo[3,2-b]indole;carbanide;5-(4-carbazol-9-ylphenyl)-10-(4-diphenylphosphorylphenyl)indolo[3,2-b]indole;[4-[5-(4-carbazol-9-ylphenyl)indolo[3,2-b]indol-10-yl]phenyl]-diphenylphosphane;chloro(diphenyl)phosphane;5,10-dihydroindeno[1,2-b]indole;9H-fluorene (PubChem CID 159651398) has the molecular formula C212H149Br4ClIN12OP3-2 and a molecular weight of 3455.50 g/mol. Its IUPAC name is 5,10-bis(4-bromophenyl)indolo[3,2-b]indole;1-bromo-4-iodobenzene;10-(4-bromophenyl)-5-(4-carbazol-9-ylphenyl)indolo[3,2-b]indole;carbanide;5-(4-carbazol-9-ylphenyl)-10-(4-diphenylphosphorylphenyl)indolo[3,2-b]indole;[4-[5-(4-carbazol-9-ylphenyl)indolo[3,2-b]indol-10-yl]phenyl]-diphenylphosphane;chloro(diphenyl)phosphane;5,10-dihydroindeno[1,2-b]indole;9H-fluorene.
| Compound Name | 5,10-bis(4-bromophenyl)indolo[3,2-b]indole;1-bromo-4-iodobenzene;10-(4-bromophenyl)-5-(4-carbazol-9-ylphenyl)indolo[3,2-b]indole;carbanide;5-(4-carbazol-9-ylphenyl)-10-(4-diphenylphosphorylphenyl)indolo[3,2-b]indole;[4-[5-(4-carbazol-9-ylphenyl)indolo[3,2-b]indol-10-yl]phenyl]-diphenylphosphane;chloro(diphenyl)phosphane;5,10-dihydroindeno[1,2-b]indole;9H-fluorene |
|---|---|
| PubChem CID | 159651398 |
| Molecular Formula | C212H149Br4ClIN12OP3-2 |
| Molecular Weight | 3455.50 g/mol |
| Exact Mass | 3448.67 |
| IUPAC Name | 5,10-bis(4-bromophenyl)indolo[3,2-b]indole;1-bromo-4-iodobenzene;10-(4-bromophenyl)-5-(4-carbazol-9-ylphenyl)indolo[3,2-b]indole;carbanide;5-(4-carbazol-9-ylphenyl)-10-(4-diphenylphosphorylphenyl)indolo[3,2-b]indole;[4-[5-(4-carbazol-9-ylphenyl)indolo[3,2-b]indol-10-yl]phenyl]-diphenylphosphane;chloro(diphenyl)phosphane;5,10-dihydroindeno[1,2-b]indole;9H-fluorene |
| SMILES | Brc1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.Brc1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccc(Br)cc2)cc1.Brc1ccc(I)cc1.ClP(c1ccccc1)c1ccccc1.O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccccc3c3c2c2ccccc2n3-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.[CH3-].[CH3-].c1ccc(P(c2ccccc2)c2ccc(-n3c4ccccc4c4c3c3ccccc3n4-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.c1ccc2c(c1)Cc1c-2[nH]c2ccccc12.c1ccc2c(c1)Cc1ccccc1-2 |
| InChI | InChI=1S/C50H34N3OP.C50H34N3P.C38H24BrN3.C26H16Br2N2.C15H11N.C13H10.C12H10ClP.C6H4BrI.2CH3/c54-55(38-15-3-1-4-16-38,39-17-5-2-6-18-39)40-33-31-37(32-34-40)53-48-26-14-10-22-44(48)49-50(53)43-21-9-13-25-47(43)52(49)36-29-27-35(28-30-36)51-45-23-11-7-19-41(45)42-20-8-12-24-46(42)51;1-3-15-38(16-4-1)54(39-17-5-2-6-18-39)40-33-31-37(32-34-40)53-48-26-14-10-22-44(48)49-50(53)43-21-9-13-25-47(43)52(49)36-29-27-35(28-30-36)51-45-23-11-7-19-41(45)42-20-8-12-24-46(42)51;39-25-17-19-27(20-18-25)41-35-15-7-3-11-31(35)38-37(41)32-12-4-8-16-36(32)42(38)28-23-21-26(22-24-28)40-33-13-5-1-9-29(33)30-10-2-6-14-34(30)40;27-17-9-13-19(14-10-17)29-23-7-3-1-5-21(23)25-26(29)22-6-2-4-8-24(22)30(25)20-15-11-18(28)12-16-20;1-2-6-11-10(5-1)9-13-12-7-3-4-8-14(12)16-15(11)13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-1-3-6(8)4-2-5;;/h1-34H;1-34H;1-24H;1-16H;1-8,16H,9H2;1-8H,9H2;1-10H;1-4H;2*1H3/q;;;;;;;;2*-1 |
| InChIKey | MRPQCPMQCOTYOW-UHFFFAOYSA-N |
| XLogP | 56.11 |
| TPSA | 87.09 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 234 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3455.50 |
| LogP ≤ 5 | 56.11 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|