C220H140N12 — CID 158059321
5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-naphthalen-2-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-phenylindolo[3,2-b]carbazole;11-naphthalen-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-9-yl-5-phenylindolo[3,2-b]carbazole (PubChem CID 158059321) has the molecular formula C220H140N12 and a molecular weight of 2951.62 g/mol. Its IUPAC name is 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-naphthalen-2-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-phenylindolo[3,2-b]carbazole;11-naphthalen-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-9-yl-5-phenylindolo[3,2-b]carbazole.
| Compound Name | 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-naphthalen-2-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-phenylindolo[3,2-b]carbazole;11-naphthalen-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-9-yl-5-phenylindolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 158059321 |
| Molecular Formula | C220H140N12 |
| Molecular Weight | 2951.62 g/mol |
| Exact Mass | 2949.13 |
| IUPAC Name | 5,11-dinaphthalen-1-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-naphthalen-2-ylindolo[3,2-b]carbazole;11-naphthalen-1-yl-5-phenylindolo[3,2-b]carbazole;11-naphthalen-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-2-yl-5-phenylindolo[3,2-b]carbazole;11-phenanthren-9-yl-5-phenylindolo[3,2-b]carbazole |
| SMILES | c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cc3ccccc3c3ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3c(ccc4ccccc43)c2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc3ccccc3c2)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2cccc3ccccc23)cc1.c1ccc2c(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)cccc2c1.c1ccc2cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cccc4ccccc34)ccc2c1 |
| InChI | InChI=1S/4C38H24N2.2C34H22N2/c1-3-15-27-25(11-1)13-9-21-33(27)39-35-19-7-5-17-29(35)31-24-38-32(23-37(31)39)30-18-6-8-20-36(30)40(38)34-22-10-14-26-12-2-4-16-28(26)34;1-2-12-27-22-28(21-20-25(27)10-1)39-35-17-7-5-15-30(35)32-24-38-33(23-37(32)39)31-16-6-8-18-36(31)40(38)34-19-9-13-26-11-3-4-14-29(26)34;1-2-11-27(12-3-1)39-35-16-8-6-14-31(35)33-24-38-34(23-37(33)39)32-15-7-9-17-36(32)40(38)28-20-21-30-26(22-28)19-18-25-10-4-5-13-29(25)30;1-2-13-26(14-3-1)39-34-20-10-8-18-30(34)32-24-38-33(23-37(32)39)31-19-9-11-21-35(31)40(38)36-22-25-12-4-5-15-27(25)28-16-6-7-17-29(28)36;1-2-13-24(14-3-1)35-31-18-8-6-16-26(31)28-22-34-29(21-33(28)35)27-17-7-9-19-32(27)36(34)30-20-10-12-23-11-4-5-15-25(23)30;1-2-12-25(13-3-1)35-31-16-8-6-14-27(31)29-22-34-30(21-33(29)35)28-15-7-9-17-32(28)36(34)26-19-18-23-10-4-5-11-24(23)20-26/h4*1-24H;2*1-22H |
| InChIKey | FKLMUUJTWKZGHX-UHFFFAOYSA-N |
| XLogP | 58.82 |
| TPSA | 59.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 232 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2951.62 |
| LogP ≤ 5 | 58.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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