C292H217N7O7 — CID 158143351
9-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;N-(4-dibenzofuran-4-ylphenyl)-3,8-diethyl-N-phenylpyren-1-amine;N-(4-dibenzofuran-4-ylphenyl)-3,8-dimethyl-N-phenylpyren-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N,10-diphenylanthracen-9-amine;3,8-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylpyren-1-amine;3,8-dicyclohexyl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylpyren-1-amine (PubChem CID 158143351) has the molecular formula C292H217N7O7 and a molecular weight of 3935.99 g/mol. Its IUPAC name is 9-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;N-(4-dibenzofuran-4-ylphenyl)-3,8-diethyl-N-phenylpyren-1-amine;N-(4-dibenzofuran-4-ylphenyl)-3,8-dimethyl-N-phenylpyren-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N,10-diphenylanthracen-9-amine;3,8-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylpyren-1-amine;3,8-dicyclohexyl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylpyren-1-amine.
| Compound Name | 9-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;N-(4-dibenzofuran-4-ylphenyl)-3,8-diethyl-N-phenylpyren-1-amine;N-(4-dibenzofuran-4-ylphenyl)-3,8-dimethyl-N-phenylpyren-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N,10-diphenylanthracen-9-amine;3,8-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylpyren-1-amine;3,8-dicyclohexyl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylpyren-1-amine |
|---|---|
| PubChem CID | 158143351 |
| Molecular Formula | C292H217N7O7 |
| Molecular Weight | 3935.99 g/mol |
| Exact Mass | 3932.68 |
| IUPAC Name | 9-N,10-N-bis(4-dibenzofuran-4-ylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine;N-(4-dibenzofuran-4-ylphenyl)-3,8-diethyl-N-phenylpyren-1-amine;N-(4-dibenzofuran-4-ylphenyl)-3,8-dimethyl-N-phenylpyren-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N,10-diphenylanthracen-9-amine;3,8-ditert-butyl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylpyren-1-amine;3,8-dicyclohexyl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylpyren-1-amine |
| SMILES | CC(C)(C)c1ccc2ccc3c(C(C)(C)C)cc(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc1c2c43.CCc1ccc2ccc3c(CC)cc(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc1c2c34.Cc1ccc2ccc3c(C)cc(N(c4ccccc4)c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccc1c2c34.c1ccc(-c2c3ccccc3c(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc23)cc1.c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc23)cc1.c1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2cc(C3CCCCC3)c3ccc4ccc(C5CCCCC5)c5ccc2c3c45)cc1 |
| InChI | InChI=1S/C62H40N2O2.C52H45NO.C48H41NO.C44H33NO.C44H29NO.C42H29NO/c1-3-17-43(18-4-1)63(45-37-33-41(34-38-45)47-27-15-29-55-49-21-11-13-31-57(49)65-61(47)55)59-51-23-7-9-25-53(51)60(54-26-10-8-24-52(54)59)64(44-19-5-2-6-20-44)46-39-35-42(36-40-46)48-28-16-30-56-50-22-12-14-32-58(50)66-62(48)56;1-4-13-34(14-5-1)40-29-25-37-26-30-44-47(35-15-6-2-7-16-35)33-48(46-32-31-43(40)50(37)51(44)46)53(38-17-8-3-9-18-38)39-27-23-36(24-28-39)41-20-12-21-45-42-19-10-11-22-49(42)54-52(41)45;1-47(2,3)40-28-22-31-21-25-38-41(48(4,5)6)29-42(39-27-26-37(40)44(31)45(38)39)49(32-13-8-7-9-14-32)33-23-19-30(20-24-33)34-16-12-17-36-35-15-10-11-18-43(35)50-46(34)36;1-3-28-17-18-31-21-24-35-29(4-2)27-40(39-26-25-34(28)42(31)43(35)39)45(32-11-6-5-7-12-32)33-22-19-30(20-23-33)36-14-10-15-38-37-13-8-9-16-41(37)46-44(36)38;1-3-14-31(15-4-1)42-36-19-7-9-21-38(36)43(39-22-10-8-20-37(39)42)45(32-16-5-2-6-17-32)33-28-26-30(27-29-33)34-23-13-24-40-35-18-11-12-25-41(35)46-44(34)40;1-26-15-16-29-19-22-33-27(2)25-38(37-24-23-32(26)40(29)41(33)37)43(30-9-4-3-5-10-30)31-20-17-28(18-21-31)34-12-8-13-36-35-11-6-7-14-39(35)44-42(34)36/h1-40H;3,8-12,17-35H,1-2,4-7,13-16H2;7-29H,1-6H3;5-27H,3-4H2,1-2H3;1-29H;3-25H,1-2H3 |
| InChIKey | FUFHGMYOSWFEBV-UHFFFAOYSA-N |
| XLogP | 85.67 |
| TPSA | 114.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 306 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3935.99 |
| LogP ≤ 5 | 85.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |