C134H88N4 — CID 161280871
7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole (PubChem CID 161280871) has the molecular formula C134H88N4 and a molecular weight of 1754.21 g/mol. Its IUPAC name is 7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole.
| Compound Name | 7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole |
|---|---|
| PubChem CID | 161280871 |
| Molecular Formula | C134H88N4 |
| Molecular Weight | 1754.21 g/mol |
| Exact Mass | 1752.70 |
| IUPAC Name | 7,7-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole;11,11-diphenyl-5-(3-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc(-c6ccccc6)c5)-c5ccccc5C7(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5cc7c(cc5n6-c5cccc(-c6ccccc6)c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc43)cc2)cc1 |
| InChI | InChI=1S/2C67H44N2/c1-5-18-45(19-6-1)47-32-36-53(37-33-47)68-63-31-16-14-29-56(63)58-41-49(34-38-64(58)68)50-35-39-65-59(42-50)60-43-62-57(44-66(60)69(65)54-27-17-22-48(40-54)46-20-7-2-8-21-46)55-28-13-15-30-61(55)67(62,51-23-9-3-10-24-51)52-25-11-4-12-26-52;1-5-18-45(19-6-1)47-32-36-53(37-33-47)68-63-31-16-14-29-56(63)58-41-49(34-38-64(58)68)50-35-39-65-59(42-50)60-43-57-55-28-13-15-30-61(55)67(51-23-9-3-10-24-51,52-25-11-4-12-26-52)62(57)44-66(60)69(65)54-27-17-22-48(40-54)46-20-7-2-8-21-46/h2*1-44H |
| InChIKey | VFBLSTLQKMSTAO-UHFFFAOYSA-N |
| XLogP | 34.49 |
| TPSA | 19.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 138 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1754.21 |
| LogP ≤ 5 | 34.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |