C263H187F2N19 — CID 158417371
3,6-dicyclohexyl-9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-difluorocarbazole;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole (PubChem CID 158417371) has the molecular formula C263H187F2N19 and a molecular weight of 3651.52 g/mol. Its IUPAC name is 3,6-dicyclohexyl-9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-difluorocarbazole;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole.
| Compound Name | 3,6-dicyclohexyl-9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-difluorocarbazole;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole |
|---|---|
| PubChem CID | 158417371 |
| Molecular Formula | C263H187F2N19 |
| Molecular Weight | 3651.52 g/mol |
| Exact Mass | 3648.52 |
| IUPAC Name | 3,6-dicyclohexyl-9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-3,6-difluorocarbazole;9-[5-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenyl-4-pyridinyl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole;9-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-3,6-diphenylcarbazole |
| SMILES | Fc1ccc2c(c1)c1cc(F)ccc1n2-c1cccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1.c1ccc(-c2cc(-c3cccc(-n4c5ccc(C6CCCCC6)cc5c5cc(C6CCCCC6)ccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cn2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cn2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1 |
| InChI | InChI=1S/C46H43N3.2C46H31N3.2C45H30N4.C35H22F2N2/c1-5-14-32(15-6-1)36-24-26-44-40(29-36)41-30-37(33-16-7-2-8-17-33)25-27-45(41)49(44)39-23-13-22-38(28-39)43-31-42(34-18-9-3-10-19-34)47-46(48-43)35-20-11-4-12-21-35;1-5-14-32(15-6-1)36-24-26-44-39(28-36)40-29-37(33-16-7-2-8-17-33)25-27-45(40)49(44)46-23-13-22-41(48-46)38-30-42(34-18-9-3-10-19-34)47-43(31-38)35-20-11-4-12-21-35;1-5-13-32(14-6-1)36-21-24-44-40(27-36)41-28-37(33-15-7-2-8-16-33)22-25-45(41)49(44)46-26-23-38(31-47-46)39-29-42(34-17-9-3-10-18-34)48-43(30-39)35-19-11-4-12-20-35;1-5-14-31(15-6-1)35-24-26-42-37(28-35)38-29-36(32-16-7-2-8-17-32)25-27-43(38)49(42)44-23-13-22-39(46-44)41-30-40(33-18-9-3-10-19-33)47-45(48-41)34-20-11-4-12-21-34;1-5-13-31(14-6-1)35-21-24-42-38(27-35)39-28-36(32-15-7-2-8-16-32)22-25-43(39)49(42)44-26-23-37(30-46-44)41-29-40(33-17-9-3-10-18-33)47-45(48-41)34-19-11-4-12-20-34;36-27-14-16-34-30(21-27)31-22-28(37)15-17-35(31)39(34)29-13-7-12-25(18-29)26-19-32(23-8-3-1-4-9-23)38-33(20-26)24-10-5-2-6-11-24/h3-4,9-13,18-33H,1-2,5-8,14-17H2;2*1-31H;2*1-30H;1-22H |
| InChIKey | HABIHWHGCNZMIE-UHFFFAOYSA-N |
| XLogP | 68.55 |
| TPSA | 197.15 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 284 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3651.52 |
| LogP ≤ 5 | 68.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |