C264H176N8 — CID 158895987
1-phenyl-2-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[10-[4-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[4-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole;1-phenyl-2-[10-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole (PubChem CID 158895987) has the molecular formula C264H176N8 and a molecular weight of 3460.37 g/mol. Its IUPAC name is 1-phenyl-2-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[10-[4-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[4-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole;1-phenyl-2-[10-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole.
| Compound Name | 1-phenyl-2-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[10-[4-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[4-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole;1-phenyl-2-[10-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole |
|---|---|
| PubChem CID | 158895987 |
| Molecular Formula | C264H176N8 |
| Molecular Weight | 3460.37 g/mol |
| Exact Mass | 3457.40 |
| IUPAC Name | 1-phenyl-2-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[10-[4-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]benzimidazole;1-phenyl-2-[4-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole;1-phenyl-2-[10-[3-[3-(2,3,4,5-tetraphenylphenyl)phenyl]phenyl]anthracen-9-yl]benzimidazole |
| SMILES | c1ccc(-c2cc(-c3ccc(-c4c5ccccc5c(-c5nc6ccccc6n5-c5ccccc5)c5ccccc45)cc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3cccc(-c4c5ccccc5c(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5ccccc45)c3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3cccc(-c4c5ccccc5c(-c5nc6ccccc6n5-c5ccccc5)c5ccccc45)c3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1.c1ccc(-c2cc(-c3cccc(-c4cccc(-c5c6ccccc6c(-c6nc7ccccc7n6-c6ccccc6)c6ccccc56)c4)c3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 |
| InChI | InChI=1S/2C69H46N2.2C63H42N2/c1-6-24-47(25-7-1)60-46-61(66(49-28-10-3-11-29-49)67(50-30-12-4-13-31-50)65(60)48-26-8-2-9-27-48)53-34-22-32-51(44-53)52-33-23-35-54(45-52)64-56-38-16-18-40-58(56)68(59-41-19-17-39-57(59)64)69-70-62-42-20-21-43-63(62)71(69)55-36-14-5-15-37-55;1-6-23-47(24-7-1)60-46-61(67(49-27-10-3-11-28-49)68(50-29-12-4-13-30-50)66(60)48-25-8-2-9-26-48)53-31-22-32-54(45-53)65-58-37-18-16-35-56(58)64(57-36-17-19-38-59(57)65)51-41-43-52(44-42-51)69-70-62-39-20-21-40-63(62)71(69)55-33-14-5-15-34-55;1-6-23-43(24-7-1)54-42-55(60(45-27-10-3-11-28-45)61(46-29-12-4-13-30-46)59(54)44-25-8-2-9-26-44)47-31-22-32-48(41-47)58-50-35-16-18-37-52(50)62(53-38-19-17-36-51(53)58)63-64-56-39-20-21-40-57(56)65(63)49-33-14-5-15-34-49;1-6-22-43(23-7-1)54-42-55(60(46-26-10-3-11-27-46)61(47-28-12-4-13-29-47)59(54)45-24-8-2-9-25-45)44-38-40-48(41-39-44)58-50-32-16-18-34-52(50)62(53-35-19-17-33-51(53)58)63-64-56-36-20-21-37-57(56)65(63)49-30-14-5-15-31-49/h2*1-46H;2*1-42H |
| InChIKey | JEVJQLIVQSSRBT-UHFFFAOYSA-N |
| XLogP | 71.34 |
| TPSA | 71.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 272 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3460.37 |
| LogP ≤ 5 | 71.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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