C344H316N8O8 — CID 160893789
1-N,6-N-bis(4-cyclohexylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine (PubChem CID 160893789) has the molecular formula C344H316N8O8 and a molecular weight of 4690.36 g/mol. Its IUPAC name is 1-N,6-N-bis(4-cyclohexylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine.
| Compound Name | 1-N,6-N-bis(4-cyclohexylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine |
|---|---|
| PubChem CID | 160893789 |
| Molecular Formula | C344H316N8O8 |
| Molecular Weight | 4690.36 g/mol |
| Exact Mass | 4686.46 |
| IUPAC Name | 1-N,6-N-bis(4-cyclohexylphenyl)-3,8-dicyclopentyl-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclohexyl-1-N,6-N-bis(3-methylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(3,4-dimethylphenyl)-1-N,6-N-bis[6-(2-propan-2-ylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine |
| SMILES | CC(C)c1ccccc1-c1cccc2c1oc1c(N(c3ccc(C4CCCCC4)cc3)c3cc(C4CCCC4)c4ccc5c(N(c6ccc(C7CCCCC7)cc6)c6cccc7c6oc6c(-c8ccccc8C(C)C)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12.Cc1ccc(N(c2cc(C3CCCC3)c3ccc4c(N(c5ccc(C)c(C)c5)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)cc(C5CCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C(C)C)cccc23)cc1C.Cc1ccc(N(c2cc(C3CCCC3)c3ccc4c(N(c5ccc(C)cc5C)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)cc(C5CCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C(C)C)cccc23)c(C)c1.Cc1cccc(N(c2cc(C3CCCCC3)c3ccc4c(N(c5cccc(C)c5)c5cccc6c5oc5c(-c7ccccc7C(C)C)cccc56)cc(C5CCCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C(C)C)cccc23)c1 |
| InChI | InChI=1S/C92H88N2O2.3C84H76N2O2/c1-57(2)67-31-15-17-33-69(67)73-35-19-37-75-77-39-21-41-83(91(77)95-89(73)75)93(65-47-43-61(44-48-65)59-23-7-5-8-24-59)85-55-81(63-27-11-12-28-63)71-52-54-80-86(56-82(64-29-13-14-30-64)72-51-53-79(85)87(71)88(72)80)94(66-49-45-62(46-50-66)60-25-9-6-10-26-60)84-42-22-40-78-76-38-20-36-74(90(76)96-92(78)84)70-34-18-16-32-68(70)58(3)4;1-49(2)57-25-13-15-27-59(57)63-29-17-31-65-67-33-19-35-75(83(67)87-81(63)65)85(73-43-37-51(5)45-53(73)7)77-47-71(55-21-9-10-22-55)61-40-42-70-78(48-72(56-23-11-12-24-56)62-39-41-69(77)79(61)80(62)70)86(74-44-38-52(6)46-54(74)8)76-36-20-34-68-66-32-18-30-64(82(66)88-84(68)76)60-28-16-14-26-58(60)50(3)4;1-49(2)59-25-13-15-27-61(59)65-29-17-31-67-69-33-19-35-75(83(69)87-81(65)67)85(57-39-37-51(5)53(7)45-57)77-47-73(55-21-9-10-22-55)63-42-44-72-78(48-74(56-23-11-12-24-56)64-41-43-71(77)79(63)80(64)72)86(58-40-38-52(6)54(8)46-58)76-36-20-34-70-68-32-18-30-66(82(68)88-84(70)76)62-28-16-14-26-60(62)50(3)4;1-51(2)59-31-13-15-33-61(59)65-35-19-37-67-69-39-21-41-75(83(69)87-81(65)67)85(57-29-17-23-53(5)47-57)77-49-73(55-25-9-7-10-26-55)63-44-46-72-78(50-74(56-27-11-8-12-28-56)64-43-45-71(77)79(63)80(64)72)86(58-30-18-24-54(6)48-58)76-42-22-40-70-68-38-20-36-66(82(68)88-84(70)76)62-34-16-14-32-60(62)52(3)4/h15-22,31-60,63-64H,5-14,23-30H2,1-4H3;2*13-20,25-50,55-56H,9-12,21-24H2,1-8H3;13-24,29-52,55-56H,7-12,25-28H2,1-6H3 |
| InChIKey | SOPLMWQOTLXVBV-UHFFFAOYSA-N |
| XLogP | 104.83 |
| TPSA | 131.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 360 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4690.36 |
| LogP ≤ 5 | 104.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |