C204H140N12OS — CID 157101340
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 157101340) has the molecular formula C204H140N12OS and a molecular weight of 2807.51 g/mol. Its IUPAC name is 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzothiophen-3-amine.
| Compound Name | 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzothiophen-3-amine |
|---|---|
| PubChem CID | 157101340 |
| Molecular Formula | C204H140N12OS |
| Molecular Weight | 2807.51 g/mol |
| Exact Mass | 2805.10 |
| IUPAC Name | 9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]dibenzothiophen-3-amine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-n5c6ccccc6c6ccncc65)c4)cc3)cc21.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccncc65)c4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccncc65)c4)cc3)c3ccc4c(c3)oc3ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cccc(-n5c6ccccc6c6ccncc65)c4)cc3)c3ccc4c(c3)sc3ccccc34)cc2)cc1 |
| InChI | InChI=1S/C60H41N3.C50H37N3.C47H31N3O.C47H31N3S/c1-4-15-42(16-5-1)43-27-31-48(32-28-43)62(49-33-29-44(30-34-49)45-17-14-22-50(39-45)63-58-26-13-11-24-54(58)55-37-38-61-41-59(55)63)51-35-36-53-52-23-10-12-25-56(52)60(57(53)40-51,46-18-6-2-7-19-46)47-20-8-3-9-21-47;1-50(2)46-17-8-6-15-42(46)43-28-27-41(32-47(43)50)52(38-23-19-35(20-24-38)34-11-4-3-5-12-34)39-25-21-36(22-26-39)37-13-10-14-40(31-37)53-48-18-9-7-16-44(48)45-29-30-51-33-49(45)53;2*1-2-9-32(10-3-1)33-17-21-36(22-18-33)49(39-25-26-43-42-14-5-7-16-46(42)51-47(43)30-39)37-23-19-34(20-24-37)35-11-8-12-38(29-35)50-44-15-6-4-13-40(44)41-27-28-48-31-45(41)50/h1-41H;3-33H,1-2H3;2*1-31H |
| InChIKey | AFUITQZUFUHYRN-UHFFFAOYSA-N |
| XLogP | 54.87 |
| TPSA | 97.38 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 218 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2807.51 |
| LogP ≤ 5 | 54.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |