C268H182N12O6S — CID 158097332
N-[4-[10-(4-tert-butylphenyl)-[1]benzofuro[3,2-b]indol-3-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;3-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-10-phenyl-[1]benzofuro[3,2-b]indole;3-(6,9-diphenylcarbazol-3-yl)-10-phenyl-[1]benzofuro[3,2-b]indole;N,N-diphenyl-8-(10-phenyl-[1]benzofuro[3,2-b]indol-3-yl)dibenzothiophen-2-amine;10-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]indole;10-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-b]indole (PubChem CID 158097332) has the molecular formula C268H182N12O6S and a molecular weight of 3698.55 g/mol. Its IUPAC name is N-[4-[10-(4-tert-butylphenyl)-[1]benzofuro[3,2-b]indol-3-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;3-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-10-phenyl-[1]benzofuro[3,2-b]indole;3-(6,9-diphenylcarbazol-3-yl)-10-phenyl-[1]benzofuro[3,2-b]indole;N,N-diphenyl-8-(10-phenyl-[1]benzofuro[3,2-b]indol-3-yl)dibenzothiophen-2-amine;10-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]indole;10-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-b]indole.
| Compound Name | N-[4-[10-(4-tert-butylphenyl)-[1]benzofuro[3,2-b]indol-3-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;3-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-10-phenyl-[1]benzofuro[3,2-b]indole;3-(6,9-diphenylcarbazol-3-yl)-10-phenyl-[1]benzofuro[3,2-b]indole;N,N-diphenyl-8-(10-phenyl-[1]benzofuro[3,2-b]indol-3-yl)dibenzothiophen-2-amine;10-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]indole;10-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-b]indole |
|---|---|
| PubChem CID | 158097332 |
| Molecular Formula | C268H182N12O6S |
| Molecular Weight | 3698.55 g/mol |
| Exact Mass | 3695.40 |
| IUPAC Name | N-[4-[10-(4-tert-butylphenyl)-[1]benzofuro[3,2-b]indol-3-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;3-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-10-phenyl-[1]benzofuro[3,2-b]indole;3-(6,9-diphenylcarbazol-3-yl)-10-phenyl-[1]benzofuro[3,2-b]indole;N,N-diphenyl-8-(10-phenyl-[1]benzofuro[3,2-b]indol-3-yl)dibenzothiophen-2-amine;10-phenyl-3-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-b]indole;10-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-b]indole |
| SMILES | CC(C)(C)c1ccc(-n2c3ccc(-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cc3c3oc4ccccc4c32)cc1.CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)c5oc7ccccc7c5n6-c5ccccc5)ccc4n(-c4ccccc4)c3cc21.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5oc7ccccc7c5n6-c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4oc6ccccc6c4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4oc6ccccc6c4n5-c4ccccc4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(-c5ccc6c(c5)c5oc7ccccc7c5n6-c5ccccc5)cc4c3c2)cc1 |
| InChI | InChI=1S/C51H42N2O.C47H32N2O.C44H28N2OS.2C44H28N2O.C38H24N2O/c1-50(2,3)35-22-26-38(27-23-35)53-46-30-21-34(31-43(46)49-48(53)42-16-10-12-18-47(42)54-49)33-19-24-37(25-20-33)52(36-13-7-6-8-14-36)39-28-29-41-40-15-9-11-17-44(40)51(4,5)45(41)32-39;1-47(2)39-19-11-9-17-33(39)35-27-37-36-25-29(21-23-41(36)48(43(37)28-40(35)47)31-13-5-3-6-14-31)30-22-24-42-38(26-30)46-45(34-18-10-12-20-44(34)50-46)49(42)32-15-7-4-8-16-32;1-4-12-31(13-5-1)45(32-14-6-2-7-15-32)34-22-25-42-37(28-34)36-26-30(21-24-41(36)48-42)29-20-23-39-38(27-29)44-43(35-18-10-11-19-40(35)47-44)46(39)33-16-8-3-9-17-33;1-4-12-29(13-5-1)30-20-23-39-36(26-30)37-27-31(21-24-40(37)45(39)33-14-6-2-7-15-33)32-22-25-41-38(28-32)44-43(35-18-10-11-19-42(35)47-44)46(41)34-16-8-3-9-17-34;1-3-11-29(12-4-1)30-19-23-34(24-20-30)45-39-17-9-7-15-35(39)37-27-31(21-25-40(37)45)32-22-26-41-38(28-32)44-43(36-16-8-10-18-42(36)47-44)46(41)33-13-5-2-6-14-33;1-3-11-27(12-4-1)39-33-17-9-7-15-29(33)31-23-25(19-21-34(31)39)26-20-22-35-32(24-26)38-37(30-16-8-10-18-36(30)41-38)40(35)28-13-5-2-6-14-28/h6-32H,1-5H3;3-28H,1-2H3;1-28H;2*1-28H;1-24H |
| InChIKey | FOVDSEPCRHBQOD-UHFFFAOYSA-N |
| XLogP | 74.12 |
| TPSA | 134.62 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 287 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3698.55 |
| LogP ≤ 5 | 74.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |