C272H191N9O — CID 158503587
1-phenyl-2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]benzimidazole;2-phenyl-1-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]benzimidazole;2-phenyl-5-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 158503587) has the molecular formula C272H191N9O and a molecular weight of 3601.58 g/mol. Its IUPAC name is 1-phenyl-2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]benzimidazole;2-phenyl-1-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]benzimidazole;2-phenyl-5-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]imidazo[1,2-a]pyrimidine.
| Compound Name | 1-phenyl-2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]benzimidazole;2-phenyl-1-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]benzimidazole;2-phenyl-5-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]imidazo[1,2-a]pyrimidine |
|---|---|
| PubChem CID | 158503587 |
| Molecular Formula | C272H191N9O |
| Molecular Weight | 3601.58 g/mol |
| Exact Mass | 3598.52 |
| IUPAC Name | 1-phenyl-2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]benzimidazole;2-phenyl-1-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]benzimidazole;2-phenyl-5-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,4-oxadiazole;2-[4-[5-(1,2,2-triphenylethenyl)-2-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]imidazo[1,2-a]pyrimidine |
| SMILES | c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3-c3ccc(-c4cn5cccnc5n4)cc3)cc2)c2ccccc2)cc1.c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3-c3ccc(-c4nc5ccccc5n4-c4ccccc4)cc3)cc2)c2ccccc2)cc1.c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)cc2)c2ccccc2)cc1.c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3-c3ccc(-n4c(-c5ccccc5)nc5ccccc54)cc3)cc2)c2ccccc2)cc1 |
| InChI | InChI=1S/2C71H50N2.C66H46N2O.C64H45N3/c1-8-24-53(25-9-1)67(54-26-10-2-11-27-54)69(57-32-16-5-17-33-57)59-44-40-51(41-45-59)63-49-48-61(70(58-34-18-6-19-35-58)68(55-28-12-3-13-29-55)56-30-14-4-15-31-56)50-64(63)52-42-46-60(47-43-52)71-72-65-38-22-23-39-66(65)73(71)62-36-20-7-21-37-62;1-8-24-53(25-9-1)67(54-26-10-2-11-27-54)69(57-32-16-5-17-33-57)59-42-40-51(41-43-59)63-49-46-61(70(58-34-18-6-19-35-58)68(55-28-12-3-13-29-55)56-30-14-4-15-31-56)50-64(63)52-44-47-62(48-45-52)73-66-39-23-22-38-65(66)72-71(73)60-36-20-7-21-37-60;1-8-22-49(23-9-1)61(50-24-10-2-11-25-50)63(53-30-16-5-17-31-53)55-40-36-47(37-41-55)59-45-44-58(46-60(59)48-38-42-57(43-39-48)66-68-67-65(69-66)56-34-20-7-21-35-56)64(54-32-18-6-19-33-54)62(51-26-12-3-13-27-51)52-28-14-4-15-29-52;1-7-20-49(21-8-1)60(50-22-9-2-10-23-50)62(53-28-15-5-16-29-53)55-38-34-46(35-39-55)57-41-40-56(44-58(57)47-32-36-48(37-33-47)59-45-67-43-19-42-65-64(67)66-59)63(54-30-17-6-18-31-54)61(51-24-11-3-12-25-51)52-26-13-4-14-27-52/h2*1-50H;1-46H;1-45H |
| InChIKey | HKEWFVLAAFJQMB-UHFFFAOYSA-N |
| XLogP | 68.58 |
| TPSA | 104.75 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 282 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3601.58 |
| LogP ≤ 5 | 68.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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