C165H132N6 — CID 159873717
N-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dibutylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine (PubChem CID 159873717) has the molecular formula C165H132N6 and a molecular weight of 2198.91 g/mol. Its IUPAC name is N-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dibutylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine.
| Compound Name | N-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dibutylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine |
|---|---|
| PubChem CID | 159873717 |
| Molecular Formula | C165H132N6 |
| Molecular Weight | 2198.91 g/mol |
| Exact Mass | 2197.05 |
| IUPAC Name | N-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dibutylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-N-phenyl-9,9'-spirobi[fluorene]-2-amine |
| SMILES | CCC(C)c1ccc2c(c1)c1cc(C(C)CC)ccc1n2-c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.CCCCc1ccc2c(c1)c1cc(CCCC)ccc1n2-c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1 |
| InChI | InChI=1S/2C57H48N2.C51H36N2/c1-5-37(3)39-24-32-55-49(34-39)50-35-40(38(4)6-2)25-33-56(50)59(55)43-28-26-42(27-29-43)58(41-16-8-7-9-17-41)44-30-31-48-47-20-12-15-23-53(47)57(54(48)36-44)51-21-13-10-18-45(51)46-19-11-14-22-52(46)57;1-3-5-16-39-26-34-55-49(36-39)50-37-40(17-6-4-2)27-35-56(50)59(55)43-30-28-42(29-31-43)58(41-18-8-7-9-19-41)44-32-33-48-47-22-12-15-25-53(47)57(54(48)38-44)51-23-13-10-20-45(51)46-21-11-14-24-52(46)57;1-33-20-28-49-43(30-33)44-31-34(2)21-29-50(44)53(49)37-24-22-36(23-25-37)52(35-12-4-3-5-13-35)38-26-27-42-41-16-8-11-19-47(41)51(48(42)32-38)45-17-9-6-14-39(45)40-15-7-10-18-46(40)51/h7-38H,5-6H2,1-4H3;7-15,18-38H,3-6,16-17H2,1-2H3;3-32H,1-2H3 |
| InChIKey | NSQCPZWXORKVSP-UHFFFAOYSA-N |
| XLogP | 44.12 |
| TPSA | 24.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 171 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2198.91 |
| LogP ≤ 5 | 44.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |