C216H168N8O3S — CID 163809652
N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-4-amine (PubChem CID 163809652) has the molecular formula C216H168N8O3S and a molecular weight of 2955.84 g/mol. Its IUPAC name is N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-4-amine.
| Compound Name | N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-4-amine |
|---|---|
| PubChem CID | 163809652 |
| Molecular Formula | C216H168N8O3S |
| Molecular Weight | 2955.84 g/mol |
| Exact Mass | 2953.30 |
| IUPAC Name | N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-1-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-2-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzofuran-3-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(1-phenylcyclohexyl)phenyl]dibenzothiophen-4-amine |
| SMILES | c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5ccc6oc7ccccc7c6c5)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5cccc6c5sc5ccccc56)cc4)cc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc(N(c5ccc(C6(c7ccccc7)CCCCC6)cc5)c5cccc6oc7ccccc7c56)cc4)cc32)cc1 |
| InChI | InChI=1S/3C54H42N2O.C54H42N2S/c1-4-15-40(16-5-1)54(35-12-3-13-36-54)41-28-32-44(33-29-41)55(49-22-14-24-52-53(49)47-20-9-11-23-51(47)57-52)43-30-25-38(26-31-43)39-27-34-46-45-19-8-10-21-48(45)56(50(46)37-39)42-17-6-2-7-18-42;1-4-14-40(15-5-1)54(34-12-3-13-35-54)41-25-29-44(30-26-41)55(45-31-33-53-49(37-45)48-19-9-11-21-52(48)57-53)43-27-22-38(23-28-43)39-24-32-47-46-18-8-10-20-50(46)56(51(47)36-39)42-16-6-2-7-17-42;1-4-14-40(15-5-1)54(34-12-3-13-35-54)41-25-29-44(30-26-41)55(45-31-33-49-48-19-9-11-21-52(48)57-53(49)37-45)43-27-22-38(23-28-43)39-24-32-47-46-18-8-10-20-50(46)56(51(47)36-39)42-16-6-2-7-17-42;1-4-15-40(16-5-1)54(35-12-3-13-36-54)41-28-32-44(33-29-41)55(50-23-14-21-48-47-20-9-11-24-52(47)57-53(48)50)43-30-25-38(26-31-43)39-27-34-46-45-19-8-10-22-49(45)56(51(46)37-39)42-17-6-2-7-18-42/h1-2,4-11,14-34,37H,3,12-13,35-36H2;2*1-2,4-11,14-33,36-37H,3,12-13,34-35H2;1-2,4-11,14-34,37H,3,12-13,35-36H2 |
| InChIKey | NMCYEHLCSUUCRN-UHFFFAOYSA-N |
| XLogP | 60.75 |
| TPSA | 72.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2955.84 |
| LogP ≤ 5 | 60.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |