C185H130N18 — CID 161340587
6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;methane (PubChem CID 161340587) has the molecular formula C185H130N18 and a molecular weight of 2605.20 g/mol. Its IUPAC name is 6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;methane.
| Compound Name | 6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;methane |
|---|---|
| PubChem CID | 161340587 |
| Molecular Formula | C185H130N18 |
| Molecular Weight | 2605.20 g/mol |
| Exact Mass | 2603.07 |
| IUPAC Name | 6-[9-(2,6-diphenyl-4-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(2,4-diphenylpyrimidin-5-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;6-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-1-yl]-9-phenylpyrido[2,3-b]indole;methane |
| SMILES | C.C.C.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ncc(-n3c4ccccc4c4cccc(-c5ccc6c(c5)c5cccnc5n6-c5ccccc5)c43)c(-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/2C46H30N4.2C45H29N5.3CH4/c1-4-14-31(15-5-1)34-29-41(32-16-6-2-7-17-32)48-44(30-34)50-42-24-11-10-20-37(42)38-22-12-21-36(45(38)50)33-25-26-43-40(28-33)39-23-13-27-47-46(39)49(43)35-18-8-3-9-19-35;1-4-14-31(15-5-1)41-29-35(30-42(48-41)32-16-6-2-7-17-32)49-43-24-11-10-20-37(43)38-22-12-21-36(45(38)49)33-25-26-44-40(28-33)39-23-13-27-47-46(39)50(44)34-18-8-3-9-19-34;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-45(47-39)50-41-24-11-10-20-35(41)36-22-12-21-34(43(36)50)32-25-26-42-38(28-32)37-23-13-27-46-44(37)49(42)33-18-8-3-9-19-33;1-4-14-30(15-5-1)42-41(29-47-44(48-42)31-16-6-2-7-17-31)50-39-24-11-10-20-35(39)36-22-12-21-34(43(36)50)32-25-26-40-38(28-32)37-23-13-27-46-45(37)49(40)33-18-8-3-9-19-33;;;/h2*1-30H;2*1-29H;3*1H4 |
| InChIKey | VMPNCNGSBMUULF-UHFFFAOYSA-N |
| XLogP | 47.39 |
| TPSA | 168.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 203 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2605.20 |
| LogP ≤ 5 | 47.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |