C466H386N22 — CID 157351756
2-N,7-N-bis(4-tert-butylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;4-[[7-(4-isocyano-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-2-ylamino]benzonitrile;9-N,9-N,10-N,10-N-tetrakis(4-tert-butylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine (PubChem CID 157351756) has the molecular formula C466H386N22 and a molecular weight of 6294.37 g/mol. Its IUPAC name is 2-N,7-N-bis(4-tert-butylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;4-[[7-(4-isocyano-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-2-ylamino]benzonitrile;9-N,9-N,10-N,10-N-tetrakis(4-tert-butylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine.
| Compound Name | 2-N,7-N-bis(4-tert-butylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;4-[[7-(4-isocyano-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-2-ylamino]benzonitrile;9-N,9-N,10-N,10-N-tetrakis(4-tert-butylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine |
|---|---|
| PubChem CID | 157351756 |
| Molecular Formula | C466H386N22 |
| Molecular Weight | 6294.37 g/mol |
| Exact Mass | 6289.09 |
| IUPAC Name | 2-N,7-N-bis(4-tert-butylphenyl)-9,9-dimethyl-2-N,7-N-dinaphthalen-1-ylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-bis(3-methylphenyl)-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenylfluorene-2,7-diamine;9,9-dimethyl-2-N,2-N,7-N,7-N-tetraphenylfluorene-2,7-diamine;4-[[7-(4-isocyano-N-naphthalen-2-ylanilino)-9,9-dimethylfluoren-2-yl]-naphthalen-2-ylamino]benzonitrile;9-N,9-N,10-N,10-N-tetrakis(4-tert-butylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetraphenylanthracene-9,10-diamine |
| SMILES | CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2c3ccccc3c(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3ccccc23)cc1.CC(C)(C)c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C(C)(C)C)cc4)c4cccc5ccccc45)ccc2-3)c2cccc3ccccc23)cc1.CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc21.CC1(C)c2cc(N(c3ccccc3)c3cccc4ccccc34)ccc2-c2ccc(N(c3ccccc3)c3cccc4ccccc34)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.Cc1ccc(N(c2ccc(C)cc2)c2c3ccccc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3ccccc23)cc1.Cc1cccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(N(c4ccccc4)c4cccc(C)c4)ccc2-3)c1.[C-]#[N+]c1ccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4ccc(C#N)cc4)c4ccc5ccccc5c4)ccc2-3)c2ccc3ccccc3c2)cc1.c1ccc(N(c2ccccc2)c2c3ccccc3c(N(c3ccccc3)c3ccccc3)c3ccccc23)cc1.c1ccc2cc(N(c3ccc4ccccc4c3)c3c4ccccc4c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C55H52N2.C54H36N2.C54H60N2.C49H34N4.2C47H36N2.C42H36N2.C41H36N2.C39H32N2.C38H28N2/c1-53(2,3)39-23-27-41(28-24-39)56(51-21-13-17-37-15-9-11-19-45(37)51)43-31-33-47-48-34-32-44(36-50(48)55(7,8)49(47)35-43)57(42-29-25-40(26-30-42)54(4,5)6)52-22-14-18-38-16-10-12-20-46(38)52;1-5-17-41-33-45(29-25-37(41)13-1)55(46-30-26-38-14-2-6-18-42(38)34-46)53-49-21-9-11-23-51(49)54(52-24-12-10-22-50(52)53)56(47-31-27-39-15-3-7-19-43(39)35-47)48-32-28-40-16-4-8-20-44(40)36-48;1-51(2,3)37-21-29-41(30-22-37)55(42-31-23-38(24-32-42)52(4,5)6)49-45-17-13-15-19-47(45)50(48-20-16-14-18-46(48)49)56(43-33-25-39(26-34-43)53(7,8)9)44-35-27-40(28-36-44)54(10,11)12;1-49(2)47-30-43(52(39-18-12-33(32-50)13-19-39)41-20-14-34-8-4-6-10-36(34)28-41)24-26-45(47)46-27-25-44(31-48(46)49)53(40-22-16-38(51-3)17-23-40)42-21-15-35-9-5-7-11-37(35)29-42;1-47(2)43-31-37(48(35-19-5-3-6-20-35)45-25-13-17-33-15-9-11-23-39(33)45)27-29-41(43)42-30-28-38(32-44(42)47)49(36-21-7-4-8-22-36)46-26-14-18-34-16-10-12-24-40(34)46;1-47(2)45-31-41(48(37-17-5-3-6-18-37)39-23-21-33-13-9-11-15-35(33)29-39)25-27-43(45)44-28-26-42(32-46(44)47)49(38-19-7-4-8-20-38)40-24-22-34-14-10-12-16-36(34)30-40;1-29-13-21-33(22-14-29)43(34-23-15-30(2)16-24-34)41-37-9-5-7-11-39(37)42(40-12-8-6-10-38(40)41)44(35-25-17-31(3)18-26-35)36-27-19-32(4)20-28-36;1-29-13-11-19-33(25-29)42(31-15-7-5-8-16-31)35-21-23-37-38-24-22-36(28-40(38)41(3,4)39(37)27-35)43(32-17-9-6-10-18-32)34-20-12-14-30(2)26-34;1-39(2)37-27-33(40(29-15-7-3-8-16-29)30-17-9-4-10-18-30)23-25-35(37)36-26-24-34(28-38(36)39)41(31-19-11-5-12-20-31)32-21-13-6-14-22-32;1-5-17-29(18-6-1)39(30-19-7-2-8-20-30)37-33-25-13-15-27-35(33)38(36-28-16-14-26-34(36)37)40(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h9-36H,1-8H3;1-36H;13-36H,1-12H3;4-31H,1-2H3;2*3-32H,1-2H3;5-28H,1-4H3;5-28H,1-4H3;3-28H,1-2H3;1-28H |
| InChIKey | BHPRCCPGDYLAJW-UHFFFAOYSA-N |
| XLogP | 133.22 |
| TPSA | 92.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 60 |
| Heavy Atoms | 488 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6294.37 |
| LogP ≤ 5 | 133.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |