C258H174N18 — CID 162186175
4,5-diphenyl-2-[3-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole (PubChem CID 162186175) has the molecular formula C258H174N18 and a molecular weight of 3526.36 g/mol. Its IUPAC name is 4,5-diphenyl-2-[3-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole.
| Compound Name | 4,5-diphenyl-2-[3-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole |
|---|---|
| PubChem CID | 162186175 |
| Molecular Formula | C258H174N18 |
| Molecular Weight | 3526.36 g/mol |
| Exact Mass | 3523.42 |
| IUPAC Name | 4,5-diphenyl-2-[3-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4,5-diphenyl-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[4-(4-phenylphenyl)phenyl]pyrimido[5,4-b]indole |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)c5c(n4)c4ccccc4n5-c4ccccc4)cc3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)c2)cc1 |
| InChI | InChI=1S/3C46H31N3.3C40H27N3/c1-4-15-32(16-5-1)34-19-12-21-36(29-34)37-22-14-24-39(31-37)46-47-43(38-23-13-20-35(30-38)33-17-6-2-7-18-33)45-44(48-46)41-27-10-11-28-42(41)49(45)40-25-8-3-9-26-40;1-4-14-32(15-5-1)36-18-12-19-37(30-36)34-26-28-35(29-27-34)46-47-43(39-21-13-20-38(31-39)33-16-6-2-7-17-33)45-44(48-46)41-24-10-11-25-42(41)49(45)40-22-8-3-9-23-40;1-4-13-32(14-5-1)34-23-25-35(26-24-34)36-27-29-37(30-28-36)46-47-43(39-18-12-17-38(31-39)33-15-6-2-7-16-33)45-44(48-46)41-21-10-11-22-42(41)49(45)40-19-8-3-9-20-40;1-4-13-28(14-5-1)32-17-12-18-33(27-32)29-23-25-31(26-24-29)40-41-37(30-15-6-2-7-16-30)39-38(42-40)35-21-10-11-22-36(35)43(39)34-19-8-3-9-20-34;1-4-13-28(14-5-1)29-23-25-30(26-24-29)32-17-12-18-33(27-32)40-41-37(31-15-6-2-7-16-31)39-38(42-40)35-21-10-11-22-36(35)43(39)34-19-8-3-9-20-34;1-4-12-28(13-5-1)29-20-22-30(23-21-29)31-24-26-33(27-25-31)40-41-37(32-14-6-2-7-15-32)39-38(42-40)35-18-10-11-19-36(35)43(39)34-16-8-3-9-17-34/h3*1-31H;3*1-27H |
| InChIKey | ZPRJETPWMIBUQK-UHFFFAOYSA-N |
| XLogP | 66.45 |
| TPSA | 184.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 276 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3526.36 |
| LogP ≤ 5 | 66.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |