C294H198N18 — CID 158496211
2-(3,5-diphenylphenyl)-5-phenyl-4-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(3-phenylphenyl)pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(4-phenylphenyl)pyrimido[5,4-b]indole;4,5-diphenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole (PubChem CID 158496211) has the molecular formula C294H198N18 and a molecular weight of 3982.94 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-5-phenyl-4-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(3-phenylphenyl)pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(4-phenylphenyl)pyrimido[5,4-b]indole;4,5-diphenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole.
| Compound Name | 2-(3,5-diphenylphenyl)-5-phenyl-4-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(3-phenylphenyl)pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(4-phenylphenyl)pyrimido[5,4-b]indole;4,5-diphenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole |
|---|---|
| PubChem CID | 158496211 |
| Molecular Formula | C294H198N18 |
| Molecular Weight | 3982.94 g/mol |
| Exact Mass | 3979.60 |
| IUPAC Name | 2-(3,5-diphenylphenyl)-5-phenyl-4-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-[3-(3-phenylphenyl)phenyl]pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(3-phenylphenyl)pyrimido[5,4-b]indole;4-(3,5-diphenylphenyl)-5-phenyl-2-(4-phenylphenyl)pyrimido[5,4-b]indole;4,5-diphenyl-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole;5-phenyl-4-(3-phenylphenyl)-2-[3-[3-(4-phenylphenyl)phenyl]phenyl]pyrimido[5,4-b]indole |
| SMILES | c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6cccc(-c7ccccc7)c6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6c(n5)c5ccccc5n6-c5ccccc5)c4)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(n3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c5c(n4)c4ccccc4n5-c4ccccc4)c3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc5c6ccccc6n(-c6ccccc6)c45)c3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4c(n3)c3ccccc3n4-c3ccccc3)c2)cc1 |
| InChI | InChI=1S/3C52H35N3.3C46H31N3/c1-5-17-36(18-6-1)39-23-15-24-40(31-39)41-25-16-26-42(32-41)52-53-49(51-50(54-52)47-29-13-14-30-48(47)55(51)46-27-11-4-12-28-46)45-34-43(37-19-7-2-8-20-37)33-44(35-45)38-21-9-3-10-22-38;1-5-17-36(18-6-1)39-23-15-24-40(31-39)41-25-16-26-42(32-41)49-51-50(47-29-13-14-30-48(47)55(51)46-27-11-4-12-28-46)54-52(53-49)45-34-43(37-19-7-2-8-20-37)33-44(35-45)38-21-9-3-10-22-38;1-4-15-36(16-5-1)38-29-31-39(32-30-38)40-19-12-21-42(33-40)43-22-14-24-45(35-43)52-53-49(44-23-13-20-41(34-44)37-17-6-2-7-18-37)51-50(54-52)47-27-10-11-28-48(47)55(51)46-25-8-3-9-26-46;1-5-16-32(17-6-1)35-22-15-23-36(28-35)46-47-43(45-44(48-46)41-26-13-14-27-42(41)49(45)40-24-11-4-12-25-40)39-30-37(33-18-7-2-8-19-33)29-38(31-39)34-20-9-3-10-21-34;1-5-15-32(16-6-1)35-25-27-36(28-26-35)46-47-43(45-44(48-46)41-23-13-14-24-42(41)49(45)40-21-11-4-12-22-40)39-30-37(33-17-7-2-8-18-33)29-38(31-39)34-19-9-3-10-20-34;1-4-14-32(15-5-1)33-26-28-34(29-27-33)36-18-12-19-37(30-36)38-20-13-21-39(31-38)46-47-43(35-16-6-2-7-17-35)45-44(48-46)41-24-10-11-25-42(41)49(45)40-22-8-3-9-23-40/h3*1-35H;3*1-31H |
| InChIKey | HJIBPWHOFOADAX-UHFFFAOYSA-N |
| XLogP | 76.45 |
| TPSA | 184.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 312 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3982.94 |
| LogP ≤ 5 | 76.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |