C269H178N6 — CID 159898915
9-[4-[6-(3,5-dimethylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-methylnaphthalen-1-yl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(3-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-phenylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2,4,6-trimethylphenyl)pyren-1-yl]phenyl]carbazole (PubChem CID 159898915) has the molecular formula C269H178N6 and a molecular weight of 3494.42 g/mol. Its IUPAC name is 9-[4-[6-(3,5-dimethylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-methylnaphthalen-1-yl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(3-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-phenylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2,4,6-trimethylphenyl)pyren-1-yl]phenyl]carbazole.
| Compound Name | 9-[4-[6-(3,5-dimethylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-methylnaphthalen-1-yl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(3-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-phenylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2,4,6-trimethylphenyl)pyren-1-yl]phenyl]carbazole |
|---|---|
| PubChem CID | 159898915 |
| Molecular Formula | C269H178N6 |
| Molecular Weight | 3494.42 g/mol |
| Exact Mass | 3491.41 |
| IUPAC Name | 9-[4-[6-(3,5-dimethylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-methylnaphthalen-1-yl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(3-methylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-[2-(4-phenylphenyl)phenyl]pyren-1-yl]phenyl]carbazole;9-[4-[6-(2-phenylphenyl)pyren-1-yl]phenyl]carbazole;9-[4-[6-(2,4,6-trimethylphenyl)pyren-1-yl]phenyl]carbazole |
| SMILES | Cc1cc(C)c(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc5ccc2c3c54)c(C)c1.Cc1cc(C)cc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc5ccc2c3c54)c1.Cc1ccc2ccccc2c1-c1ccc2ccc3c(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)ccc4ccc1c2c43.Cc1cccc(-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc5ccc2c3c54)c1.c1ccc(-c2ccc(-c3ccccc3-c3ccc4ccc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc6ccc3c4c65)cc2)cc1.c1ccc(-c2ccccc2-c2ccc3ccc4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)ccc5ccc2c3c54)cc1 |
| InChI | InChI=1S/C52H33N.C46H29N.C45H29N.C43H31N.C42H29N.C41H27N/c1-2-10-34(11-3-1)35-18-20-36(21-19-35)41-12-4-5-13-43(41)44-31-25-39-26-32-47-42(30-24-38-27-33-48(44)52(39)51(38)47)37-22-28-40(29-23-37)53-49-16-8-6-14-45(49)46-15-7-9-17-50(46)53;1-2-10-30(11-3-1)35-12-4-5-13-37(35)38-27-21-33-22-28-41-36(26-20-32-23-29-42(38)46(33)45(32)41)31-18-24-34(25-19-31)47-43-16-8-6-14-39(43)40-15-7-9-17-44(40)47;1-28-14-15-29-8-2-3-9-35(29)43(28)39-26-20-32-19-25-38-34(24-18-31-21-27-40(39)45(32)44(31)38)30-16-22-33(23-17-30)46-41-12-6-4-10-36(41)37-11-5-7-13-42(37)46;1-26-24-27(2)41(28(3)25-26)37-22-16-31-15-21-36-33(20-14-30-17-23-38(37)43(31)42(30)36)29-12-18-32(19-13-29)44-39-10-6-4-8-34(39)35-9-5-7-11-40(35)44;1-26-23-27(2)25-31(24-26)34-20-14-30-15-21-37-33(19-13-29-16-22-38(34)42(30)41(29)37)28-11-17-32(18-12-28)43-39-9-5-3-7-35(39)36-8-4-6-10-40(36)43;1-26-7-6-8-30(25-26)33-22-16-29-17-23-36-32(21-15-28-18-24-37(33)41(29)40(28)36)27-13-19-31(20-14-27)42-38-11-4-2-9-34(38)35-10-3-5-12-39(35)42/h1-33H;1-29H;2-27H,1H3;4-25H,1-3H3;3-25H,1-2H3;2-25H,1H3 |
| InChIKey | NVRVKIHWODQDMW-UHFFFAOYSA-N |
| XLogP | 74.40 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 275 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3494.42 |
| LogP ≤ 5 | 74.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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