C266H179N9OS — CID 157301696
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-N,N-diphenylaniline;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazole (PubChem CID 157301696) has the molecular formula C266H179N9OS and a molecular weight of 3549.49 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-N,N-diphenylaniline;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazole.
| Compound Name | 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-N,N-diphenylaniline;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazole |
|---|---|
| PubChem CID | 157301696 |
| Molecular Formula | C266H179N9OS |
| Molecular Weight | 3549.49 g/mol |
| Exact Mass | 3546.40 |
| IUPAC Name | 3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;N-[4-(9-dibenzothiophen-2-ylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)triphenylen-2-amine;4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)-N,N-diphenylaniline;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazole |
| SMILES | c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5sc6ccccc6c5c4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)cc1.c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3ccccc3)c3ccccc3n5-c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C55H36N2.C55H37N.C54H36N2S.C54H37NO.C48H33N3/c1-4-14-36(15-5-1)55-45-22-11-10-20-43(45)47-32-37(24-28-46(47)55)39-26-30-53-49(34-39)50-35-40(27-31-54(50)57(53)42-18-8-3-9-19-42)38-25-29-52-48(33-38)44-21-12-13-23-51(44)56(52)41-16-6-2-7-17-41;1-4-16-38(17-5-1)39-28-30-42(31-29-39)56(43-32-34-49-47-24-11-10-22-45(47)46-23-12-13-25-48(46)52(49)36-43)44-33-35-51-50-26-14-15-27-53(50)55(54(51)37-44,40-18-6-2-7-19-40)41-20-8-3-9-21-41;1-3-11-37(12-4-1)39-19-26-43(27-20-39)55(44-28-21-40(22-29-44)38-13-5-2-6-14-38)45-30-23-41(24-31-45)42-25-33-52-49(35-42)47-15-7-9-17-51(47)56(52)46-32-34-54-50(36-46)48-16-8-10-18-53(48)57-54;1-3-11-38(12-4-1)40-21-25-42(26-22-40)44-29-33-47(34-30-44)55(48-35-31-45(32-36-48)43-27-23-41(24-28-43)39-13-5-2-6-14-39)49-16-9-15-46(37-49)50-18-10-19-52-51-17-7-8-20-53(51)56-54(50)52;1-5-15-36(16-6-1)49(37-17-7-2-8-18-37)40-28-25-34(26-29-40)35-27-30-46-42(31-35)44-33-47-43(32-48(44)51(46)39-21-11-4-12-22-39)41-23-13-14-24-45(41)50(47)38-19-9-3-10-20-38/h1-35,55H;1-37H;1-36H;1-37H;1-33H |
| InChIKey | BBYZGYDMROTYJB-UHFFFAOYSA-N |
| XLogP | 73.05 |
| TPSA | 50.75 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 277 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3549.49 |
| LogP ≤ 5 | 73.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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