C402H348N10O10 — CID 159691661
3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)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-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N-(2,5-dimethylphenyl)-6-N-(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;methane (PubChem CID 159691661) has the molecular formula C402H348N10O10 and a molecular weight of 5479.27 g/mol. Its IUPAC name is 3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)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-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N-(2,5-dimethylphenyl)-6-N-(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;methane.
| Compound Name | 3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)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-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N-(2,5-dimethylphenyl)-6-N-(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;methane |
|---|---|
| PubChem CID | 159691661 |
| Molecular Formula | C402H348N10O10 |
| Molecular Weight | 5479.27 g/mol |
| Exact Mass | 5474.70 |
| IUPAC Name | 3,8-dicyclopentyl-1-N,6-N-bis(2,4-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N,6-N-bis(2,6-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)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-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;3,8-dicyclopentyl-1-N-(2,5-dimethylphenyl)-6-N-(3,5-dimethylphenyl)-1-N,6-N-bis[6-(2-methylphenyl)dibenzofuran-4-yl]pyrene-1,6-diamine;methane |
| SMILES | C.C.Cc1cc(C)cc(N(c2cc(C3CCCC3)c3ccc4c(N(c5cc(C)ccc5C)c5cccc6c5oc5c(-c7ccccc7C)cccc56)cc(C5CCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1.Cc1ccc(C)c(N(c2cc(C3CCCC3)c3ccc4c(N(c5cc(C)ccc5C)c5cccc6c5oc5c(-c7ccccc7C)cccc56)cc(C5CCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c1.Cc1ccc(N(c2cc(C3CCCC3)c3ccc4c(N(c5ccc(C)c(C)c5)c5cccc6c5oc5c(-c7ccccc7C)cccc56)cc(C5CCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)cc1C.Cc1ccc(N(c2cc(C3CCCC3)c3ccc4c(N(c5ccc(C)cc5C)c5cccc6c5oc5c(-c7ccccc7C)cccc56)cc(C5CCCC5)c5ccc2c3c54)c2cccc3c2oc2c(-c4ccccc4C)cccc23)c(C)c1.Cc1ccccc1-c1cccc2c1oc1c(N(c3c(C)cccc3C)c3cc(C4CCCC4)c4ccc5c(N(c6c(C)cccc6C)c6cccc7c6oc6c(-c8ccccc8C)cccc67)cc(C6CCCC6)c6ccc3c4c65)cccc12 |
| InChI | InChI=1S/5C80H68N2O2.2CH4/c1-47-21-7-13-31-55(47)59-33-17-35-61-63-37-19-39-69(79(63)83-77(59)61)81(75-49(3)23-15-24-50(75)4)71-45-67(53-27-9-10-28-53)57-42-44-66-72(46-68(54-29-11-12-30-54)58-41-43-65(71)73(57)74(58)66)82(76-51(5)25-16-26-52(76)6)70-40-20-38-64-62-36-18-34-60(78(62)84-80(64)70)56-32-14-8-22-48(56)2;1-47-35-41-69(51(5)43-47)81(71-33-17-31-63-61-29-15-27-59(77(61)83-79(63)71)55-25-13-7-19-49(55)3)73-45-67(53-21-9-10-22-53)57-38-40-66-74(46-68(54-23-11-12-24-54)58-37-39-65(73)75(57)76(58)66)82(70-42-36-48(2)44-52(70)6)72-34-18-32-64-62-30-16-28-60(78(62)84-80(64)72)56-26-14-8-20-50(56)4;1-47-35-37-55(43-51(47)5)81(71-33-17-31-65-63-29-15-27-61(77(63)83-79(65)71)57-25-13-7-19-49(57)3)73-45-69(53-21-9-10-22-53)59-40-42-68-74(46-70(54-23-11-12-24-54)60-39-41-67(73)75(59)76(60)68)82(56-38-36-48(2)52(6)44-56)72-34-18-32-66-64-30-16-28-62(78(64)84-80(66)72)58-26-14-8-20-50(58)4;1-47-35-37-51(5)71(43-47)81(69-33-17-31-63-61-29-15-27-59(77(61)83-79(63)69)55-25-13-7-19-49(55)3)73-45-67(53-21-9-10-22-53)57-40-42-66-74(46-68(54-23-11-12-24-54)58-39-41-65(73)75(57)76(58)66)82(72-44-48(2)36-38-52(72)6)70-34-18-32-64-62-30-16-28-60(78(62)84-80(64)70)56-26-14-8-20-50(56)4;1-47-35-36-52(6)72(44-47)82(71-34-18-32-65-63-30-16-28-61(78(63)84-80(65)71)57-26-14-8-20-51(57)5)74-46-69(54-23-11-12-24-54)59-37-39-66-73(45-68(53-21-9-10-22-53)58-38-40-67(74)76(59)75(58)66)81(55-42-48(2)41-49(3)43-55)70-33-17-31-64-62-29-15-27-60(77(62)83-79(64)70)56-25-13-7-19-50(56)4;;/h7-8,13-26,31-46,53-54H,9-12,27-30H2,1-6H3;4*7-8,13-20,25-46,53-54H,9-12,21-24H2,1-6H3;2*1H4 |
| InChIKey | MWMKLFVIROATCA-UHFFFAOYSA-N |
| XLogP | 120.38 |
| TPSA | 163.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 422 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5479.27 |
| LogP ≤ 5 | 120.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |