C166H130N4 — CID 159790785
N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 159790785) has the molecular formula C166H130N4 and a molecular weight of 2180.89 g/mol. Its IUPAC name is N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 159790785 |
| Molecular Formula | C166H130N4 |
| Molecular Weight | 2180.89 g/mol |
| Exact Mass | 2179.03 |
| IUPAC Name | N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine |
| SMILES | c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccc(-n6c7ccc(C8CCCC8)cc7c7cc(C8CCCC8)ccc76)cc5)cc4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc2)cc1 |
| InChI | InChI=1S/C83H64N2.C83H66N2/c1-2-16-55(17-3-1)58-34-36-63(37-35-58)69-22-11-15-29-80(69)84(68-48-49-73-72-25-10-14-28-78(72)83(79(73)54-68)76-26-12-8-23-70(76)71-24-9-13-27-77(71)83)66-44-38-61(39-45-66)59-30-32-60(33-31-59)62-40-46-67(47-41-62)85-81-50-42-64(56-18-4-5-19-56)52-74(81)75-53-65(43-51-82(75)85)57-20-6-7-21-57;1-4-18-57(19-5-1)60-36-38-65(39-37-60)73-28-15-17-31-80(73)84(72-50-51-75-74-29-14-16-30-78(74)83(79(75)56-72,68-24-6-2-7-25-68)69-26-8-3-9-27-69)70-46-40-63(41-47-70)61-32-34-62(35-33-61)64-42-48-71(49-43-64)85-81-52-44-66(58-20-10-11-21-58)54-76(81)77-55-67(45-53-82(77)85)59-22-12-13-23-59/h1-3,8-17,22-54,56-57H,4-7,18-21H2;1-9,14-19,24-56,58-59H,10-13,20-23H2 |
| InChIKey | NINKMDQGRZBBTM-UHFFFAOYSA-N |
| XLogP | 45.18 |
| TPSA | 16.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 170 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2180.89 |
| LogP ≤ 5 | 45.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |