C350H244N12 — CID 158826661
9-[9,10-bis(4-tert-butylphenyl)-6-carbazol-9-ylanthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3,5-dimethylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(2-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole (PubChem CID 158826661) has the molecular formula C350H244N12 and a molecular weight of 4617.89 g/mol. Its IUPAC name is 9-[9,10-bis(4-tert-butylphenyl)-6-carbazol-9-ylanthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3,5-dimethylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(2-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole.
| Compound Name | 9-[9,10-bis(4-tert-butylphenyl)-6-carbazol-9-ylanthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3,5-dimethylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(2-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole |
|---|---|
| PubChem CID | 158826661 |
| Molecular Formula | C350H244N12 |
| Molecular Weight | 4617.89 g/mol |
| Exact Mass | 4613.95 |
| IUPAC Name | 9-[9,10-bis(4-tert-butylphenyl)-6-carbazol-9-ylanthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3,5-dimethylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(2-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;9-[6-carbazol-9-yl-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole |
| SMILES | CC(C)(C)c1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3ccc(C(C)(C)C)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1.Cc1cc(C)cc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3cc(C)cc(C)c3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)c1.Cc1ccc(-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3ccc(C)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1.c1ccc(-c2ccc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4ccc(-c5ccccc5)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccc(-n5c6ccccc6c6ccccc65)cc4c(-c4cccc(-c5ccccc5)c4)c4ccc(-n5c6ccccc6c6ccccc65)cc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccc(-n4c5ccccc5c5ccccc54)cc3c(-c3ccccc3-c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc23)cc1 |
| InChI | InChI=1S/3C62H40N2.C58H48N2.C54H40N2.C52H36N2/c1-3-17-41(18-4-1)43-21-15-23-45(37-43)61-53-35-33-48(64-59-31-13-9-27-51(59)52-28-10-14-32-60(52)64)40-56(53)62(46-24-16-22-44(38-46)42-19-5-2-6-20-42)54-36-34-47(39-55(54)61)63-57-29-11-7-25-49(57)50-26-8-12-30-58(50)63;1-3-15-41(16-4-1)43-27-31-45(32-28-43)61-53-37-35-48(64-59-25-13-9-21-51(59)52-22-10-14-26-60(52)64)40-56(53)62(46-33-29-44(30-34-46)42-17-5-2-6-18-42)54-38-36-47(39-55(54)61)63-57-23-11-7-19-49(57)50-20-8-12-24-58(50)63;1-3-19-41(20-4-1)45-23-7-9-29-51(45)61-53-37-35-44(64-59-33-17-13-27-49(59)50-28-14-18-34-60(50)64)40-56(53)62(52-30-10-8-24-46(52)42-21-5-2-6-22-42)54-38-36-43(39-55(54)61)63-57-31-15-11-25-47(57)48-26-12-16-32-58(48)63;1-57(2,3)39-27-23-37(24-28-39)55-47-33-31-42(60-53-21-13-9-17-45(53)46-18-10-14-22-54(46)60)36-50(47)56(38-25-29-40(30-26-38)58(4,5)6)48-34-32-41(35-49(48)55)59-51-19-11-7-15-43(51)44-16-8-12-20-52(44)59;1-33-25-34(2)28-37(27-33)53-45-23-21-40(56-51-19-11-7-15-43(51)44-16-8-12-20-52(44)56)32-48(45)54(38-29-35(3)26-36(4)30-38)46-24-22-39(31-47(46)53)55-49-17-9-5-13-41(49)42-14-6-10-18-50(42)55;1-33-19-23-35(24-20-33)51-43-29-27-38(54-49-17-9-5-13-41(49)42-14-6-10-18-50(42)54)32-46(43)52(36-25-21-34(2)22-26-36)44-30-28-37(31-45(44)51)53-47-15-7-3-11-39(47)40-12-4-8-16-48(40)53/h3*1-40H;7-36H,1-6H3;5-32H,1-4H3;3-32H,1-2H3 |
| InChIKey | IWNQLRYGGWCZOJ-UHFFFAOYSA-N |
| XLogP | 95.57 |
| TPSA | 59.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 362 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4617.89 |
| LogP ≤ 5 | 95.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |