C218H140N10 — CID 159578220
11-phenanthren-2-yl-5-(4-phenylphenyl)indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole;5-phenyl-11-triphenylen-2-ylindolo[3,2-b]carbazole (PubChem CID 159578220) has the molecular formula C218H140N10 and a molecular weight of 2899.59 g/mol. Its IUPAC name is 11-phenanthren-2-yl-5-(4-phenylphenyl)indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole;5-phenyl-11-triphenylen-2-ylindolo[3,2-b]carbazole.
| Compound Name | 11-phenanthren-2-yl-5-(4-phenylphenyl)indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole;5-phenyl-11-triphenylen-2-ylindolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 159578220 |
| Molecular Formula | C218H140N10 |
| Molecular Weight | 2899.59 g/mol |
| Exact Mass | 2897.13 |
| IUPAC Name | 11-phenanthren-2-yl-5-(4-phenylphenyl)indolo[3,2-b]carbazole;5-phenyl-11-[3-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole;5-(4-phenylphenyl)-11-triphenylen-2-ylindolo[3,2-b]carbazole;5-phenyl-11-triphenylen-2-ylindolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)c3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3c4ccccc4c4ccccc4c3c2)cc1 |
| InChI | InChI=1S/C48H30N2.C44H28N2.C42H26N2.2C42H28N2/c1-2-12-31(13-3-1)32-22-24-33(25-23-32)49-45-20-10-8-18-40(45)43-30-48-44(29-47(43)49)41-19-9-11-21-46(41)50(48)34-26-27-39-37-16-5-4-14-35(37)36-15-6-7-17-38(36)42(39)28-34;1-2-10-29(11-3-1)30-20-22-33(23-21-30)45-41-16-8-6-14-37(41)39-28-44-40(27-43(39)45)38-15-7-9-17-42(38)46(44)34-24-25-36-32(26-34)19-18-31-12-4-5-13-35(31)36;1-2-12-27(13-3-1)43-39-20-10-8-18-34(39)37-26-42-38(25-41(37)43)35-19-9-11-21-40(35)44(42)28-22-23-33-31-16-5-4-14-29(31)30-15-6-7-17-32(30)36(33)24-28;1-3-12-29(13-4-1)30-22-24-31(25-23-30)32-14-11-17-34(26-32)44-40-21-10-8-19-36(40)38-27-41-37(28-42(38)44)35-18-7-9-20-39(35)43(41)33-15-5-2-6-16-33;1-3-11-29(12-4-1)30-19-21-31(22-20-30)32-23-25-34(26-24-32)44-40-18-10-8-16-36(40)38-27-41-37(28-42(38)44)35-15-7-9-17-39(35)43(41)33-13-5-2-6-14-33/h1-30H;1-28H;1-26H;2*1-28H |
| InChIKey | MIRFKOACMZGUNI-UHFFFAOYSA-N |
| XLogP | 58.63 |
| TPSA | 49.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 228 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2899.59 |
| LogP ≤ 5 | 58.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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