C148H100N4 — CID 158286296
N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline (PubChem CID 158286296) has the molecular formula C148H100N4 and a molecular weight of 1934.46 g/mol. Its IUPAC name is N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline.
| Compound Name | N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline |
|---|---|
| PubChem CID | 158286296 |
| Molecular Formula | C148H100N4 |
| Molecular Weight | 1934.46 g/mol |
| Exact Mass | 1932.79 |
| IUPAC Name | N-[4-[3,6-bis(2-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline;N-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]-N-phenyl-4-(10-phenylanthracen-9-yl)aniline |
| SMILES | c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(-c6ccccc6)cc5)ccc3n4-c3ccc(N(c4ccccc4)c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)cc2)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccccc4)ccc2n3-c2ccc(N(c3ccccc3)c3ccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)cc3)cc2)cc1 |
| InChI | InChI=1S/2C74H50N2/c1-5-21-51(22-6-1)61-29-13-15-31-63(61)55-39-47-71-69(49-55)70-50-56(64-32-16-14-30-62(64)52-23-7-2-8-24-52)40-48-72(70)76(71)60-45-43-59(44-46-60)75(57-27-11-4-12-28-57)58-41-37-54(38-42-58)74-67-35-19-17-33-65(67)73(53-25-9-3-10-26-53)66-34-18-20-36-68(66)74;1-5-17-51(18-6-1)53-29-33-55(34-30-53)59-39-47-71-69(49-59)70-50-60(56-35-31-54(32-36-56)52-19-7-2-8-20-52)40-48-72(70)76(71)64-45-43-63(44-46-64)75(61-23-11-4-12-24-61)62-41-37-58(38-42-62)74-67-27-15-13-25-65(67)73(57-21-9-3-10-22-57)66-26-14-16-28-68(66)74/h2*1-50H |
| InChIKey | GKUYQZIXOJNLQP-UHFFFAOYSA-N |
| XLogP | 41.12 |
| TPSA | 16.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 152 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1934.46 |
| LogP ≤ 5 | 41.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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