C236H177N11Si — CID 158270706
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine (PubChem CID 158270706) has the molecular formula C236H177N11Si and a molecular weight of 3195.17 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine.
| Compound Name | N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine |
|---|---|
| PubChem CID | 158270706 |
| Molecular Formula | C236H177N11Si |
| Molecular Weight | 3195.17 g/mol |
| Exact Mass | 3192.40 |
| IUPAC Name | N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(6,9-diphenylcarbazol-3-yl)-N-(4-isocyanophenyl)aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-methyl-N-[4-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-9-phenyl-N-(6-pyridin-2-yl-3-pyridinyl)carbazol-3-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-methyl-6-phenyl-N-(4-triphenylsilylphenyl)carbazol-3-amine |
| SMILES | Cc1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc2c(c1)c1cc(N(c3ccc(-c4ccccn4)nc3)c3cccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3)ccc1n2-c1ccccc1.Cn1c2ccc(-c3ccccc3)cc2c2cc(N(c3ccc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)ccc21.[C-]#[N+]c1ccc(N(c2ccc(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2ccc(-c3ccc4c(c3)c3cc(-c5ccccc5)ccc3n4-c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C64H50N2Si.C64H48N2.C58H41N3.C50H38N4/c1-64(2)60-27-17-16-26-56(60)57-39-30-48(43-61(57)64)46-28-32-49(33-29-46)66(51-36-41-63-59(44-51)58-42-47(31-40-62(58)65(63)3)45-18-8-4-9-19-45)50-34-37-55(38-35-50)67(52-20-10-5-11-21-52,53-22-12-6-13-23-53)54-24-14-7-15-25-54;1-43-18-29-52(30-19-43)65(54-33-24-48(25-34-54)51-26-37-57-56-16-10-11-17-60(56)64(2,3)61(57)42-51)53-31-22-47(23-32-53)50-28-39-63-59(41-50)58-40-49(45-14-8-5-9-15-45)27-38-62(58)66(63)55-35-20-46(21-36-55)44-12-6-4-7-13-44;1-58(2)54-17-11-10-16-50(54)51-33-22-44(38-55(51)58)41-20-29-48(30-21-41)60(49-31-25-45(59-3)26-32-49)47-27-18-40(19-28-47)43-24-35-57-53(37-43)52-36-42(39-12-6-4-7-13-39)23-34-56(52)61(57)46-14-8-5-9-15-46;1-33-19-25-48-42(28-33)43-31-38(22-26-49(43)54(48)36-13-5-4-6-14-36)53(39-21-24-47(52-32-39)46-18-9-10-27-51-46)37-15-11-12-34(29-37)35-20-23-41-40-16-7-8-17-44(40)50(2,3)45(41)30-35/h4-44H,1-3H3;4-42H,1-3H3;4-38H,1-2H3;4-32H,1-3H3 |
| InChIKey | GIZLGGMETQYNKO-UHFFFAOYSA-N |
| XLogP | 60.46 |
| TPSA | 62.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 248 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3195.17 |
| LogP ≤ 5 | 60.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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