C130H91N3 — CID 158244995
N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole (PubChem CID 158244995) has the molecular formula C130H91N3 and a molecular weight of 1695.18 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole.
| Compound Name | N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 158244995 |
| Molecular Formula | C130H91N3 |
| Molecular Weight | 1695.18 g/mol |
| Exact Mass | 1693.72 |
| IUPAC Name | N,4-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N,4-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]aniline;9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc23)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3)cc2)cc1 |
| InChI | InChI=1S/C49H35N.C43H31N.C38H25N/c1-4-14-36(15-5-1)38-26-32-43(33-27-38)50(42-18-8-3-9-19-42)44-34-28-39(29-35-44)37-24-30-41(31-25-37)49(40-16-6-2-7-17-40)47-22-12-10-20-45(47)46-21-11-13-23-48(46)49;1-4-14-32(15-5-1)33-24-28-37(29-25-33)44(36-18-8-3-9-19-36)38-30-26-35(27-31-38)43(34-16-6-2-7-17-34)41-22-12-10-20-39(41)40-21-11-13-23-42(40)43;1-2-12-26(13-3-1)37-31-16-4-6-18-33(31)38(34-19-7-5-17-32(34)37)27-22-24-28(25-23-27)39-35-20-10-8-14-29(35)30-15-9-11-21-36(30)39/h1-35H;1-31H;1-25H |
| InChIKey | GFZWWSWFPXOWAL-UHFFFAOYSA-N |
| XLogP | 34.46 |
| TPSA | 11.41 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 133 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1695.18 |
| LogP ≤ 5 | 34.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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