C276H182N12 — CID 157333681
3-deuterio-6-(6-deuterio-9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-deuterio-6-[6-deuterio-9-(4-phenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-naphthalen-2-yl-6-phenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-6,9-diphenylcarbazole (PubChem CID 157333681) has the molecular formula C276H182N12 and a molecular weight of 3670.60 g/mol. Its IUPAC name is 3-deuterio-6-(6-deuterio-9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-deuterio-6-[6-deuterio-9-(4-phenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-naphthalen-2-yl-6-phenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-6,9-diphenylcarbazole.
| Compound Name | 3-deuterio-6-(6-deuterio-9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-deuterio-6-[6-deuterio-9-(4-phenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-naphthalen-2-yl-6-phenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-6,9-diphenylcarbazole |
|---|---|
| PubChem CID | 157333681 |
| Molecular Formula | C276H182N12 |
| Molecular Weight | 3670.60 g/mol |
| Exact Mass | 3667.49 |
| IUPAC Name | 3-deuterio-6-(6-deuterio-9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-deuterio-6-[6-deuterio-9-(4-phenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3-(6,9-diphenylcarbazol-3-yl)-9-naphthalen-2-yl-6-phenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-6,9-diphenylcarbazole |
| SMILES | [2H]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc([2H])ccc3n4-c3ccc(-c4ccccc4)cc3)ccc1n2-c1ccc(-c2ccccc2)cc1.[2H]c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cc([2H])ccc3n4-c3ccc4ccccc4c3)ccc1n2-c1ccccc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1 |
| InChI | InChI=1S/C52H34N2.2C48H32N2.C46H30N2.C42H28N2.C40H26N2/c1-4-12-35(13-5-1)39-21-26-49-45(31-39)47-33-41(23-28-50(47)53(49)43-18-8-3-9-19-43)42-24-29-52-48(34-42)46-32-40(36-14-6-2-7-15-36)22-27-51(46)54(52)44-25-20-37-16-10-11-17-38(37)30-44;1-5-13-33(14-6-1)35-21-25-45-41(29-35)43-31-37(23-27-47(43)49(45)39-17-9-3-10-18-39)38-24-28-48-44(32-38)42-30-36(34-15-7-2-8-16-34)22-26-46(42)50(48)40-19-11-4-12-20-40;1-3-11-33(12-4-1)35-19-25-39(26-20-35)49-45-17-9-7-15-41(45)43-31-37(23-29-47(43)49)38-24-30-48-44(32-38)42-16-8-10-18-46(42)50(48)40-27-21-36(22-28-40)34-13-5-2-6-14-34;1-3-11-31(12-4-1)34-20-24-45-41(28-34)42-30-36(22-26-46(42)47(45)37-15-5-2-6-16-37)35-21-25-44-40(29-35)39-17-9-10-18-43(39)48(44)38-23-19-32-13-7-8-14-33(32)27-38;1-4-12-29(13-5-1)30-20-23-41-37(26-30)38-28-32(22-25-42(38)44(41)34-16-8-3-9-17-34)31-21-24-40-36(27-31)35-18-10-11-19-39(35)43(40)33-14-6-2-7-15-33;1-2-12-31(13-3-1)41-37-16-8-6-14-33(37)35-25-29(19-22-39(35)41)30-20-23-40-36(26-30)34-15-7-9-17-38(34)42(40)32-21-18-27-10-4-5-11-28(27)24-32/h1-34H;2*1-32H;1-30H;1-28H;1-26H/i;;7D,8D;;;6D,7D |
| InChIKey | BFOVWGSJBLMDHU-OZRQXNMRSA-N |
| XLogP | 74.08 |
| TPSA | 59.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 288 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3670.60 |
| LogP ≤ 5 | 74.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |