C397H316N14 — CID 161162896
9-(10-carbazol-9-yl-2-phenylanthracen-9-yl)carbazole;9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]fluoren-2-amine;9-N,9-N,10-N,10-N,2,6-hexakis-phenylanthracene-9,10-diamine;2-methyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-7-phenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-tert-butylphenyl)-2-methyl-7-phenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetranaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine;9-N,9-N,10-N-tris(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine (PubChem CID 161162896) has the molecular formula C397H316N14 and a molecular weight of 5282.99 g/mol. Its IUPAC name is 9-(10-carbazol-9-yl-2-phenylanthracen-9-yl)carbazole;9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]fluoren-2-amine;9-N,9-N,10-N,10-N,2,6-hexakis-phenylanthracene-9,10-diamine;2-methyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-7-phenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-tert-butylphenyl)-2-methyl-7-phenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetranaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine;9-N,9-N,10-N-tris(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine.
| Compound Name | 9-(10-carbazol-9-yl-2-phenylanthracen-9-yl)carbazole;9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]fluoren-2-amine;9-N,9-N,10-N,10-N,2,6-hexakis-phenylanthracene-9,10-diamine;2-methyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-7-phenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-tert-butylphenyl)-2-methyl-7-phenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetranaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine;9-N,9-N,10-N-tris(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine |
|---|---|
| PubChem CID | 161162896 |
| Molecular Formula | C397H316N14 |
| Molecular Weight | 5282.99 g/mol |
| Exact Mass | 5278.52 |
| IUPAC Name | 9-(10-carbazol-9-yl-2-phenylanthracen-9-yl)carbazole;9,9-dimethyl-N,N-diphenyl-7-[2-[4-(N-phenylanilino)phenyl]ethynyl]fluoren-2-amine;9-N,9-N,10-N,10-N,2,6-hexakis-phenylanthracene-9,10-diamine;2-methyl-9-N,9-N,10-N,10-N-tetrakis(4-methylphenyl)-7-phenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(4-tert-butylphenyl)-2-methyl-7-phenylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetranaphthalen-2-yl-2,6-diphenylanthracene-9,10-diamine;9-N,9-N,10-N-tris(9,9-dimethylfluoren-2-yl)-10-N-(9,9-dimethylfluoren-3-yl)-2-phenylanthracene-9,10-diamine |
| SMILES | CC1(C)c2cc(C#Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3c4ccccc4c(N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccccc5)ccc34)ccc21.Cc1ccc(N(c2ccc(C)cc2)c2c3ccc(C)cc3c(N(c3ccc(C)cc3)c3ccc(C)cc3)c3cc(-c4ccccc4)ccc23)cc1.Cc1ccc2c(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c3ccc(-c4ccccc4)cc3c(N(c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)c2c1.c1ccc(-c2ccc3c(-n4c5ccccc5c5ccccc54)c4ccccc4c(-n4c5ccccc5c5ccccc54)c3c2)cc1.c1ccc(-c2ccc3c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c4cc(-c5ccccc5)ccc4c(N(c4ccc5ccccc5c4)c4ccc5ccccc5c4)c3c2)cc1.c1ccc(-c2ccc3c(N(c4ccccc4)c4ccccc4)c4cc(-c5ccccc5)ccc4c(N(c4ccccc4)c4ccccc4)c3c2)cc1 |
| InChI | InChI=1S/C80H64N2.C66H44N2.C61H66N2.C50H36N2.C49H42N2.C47H36N2.C44H28N2/c1-77(2)70-33-21-17-27-58(70)65-45-51(38-43-71(65)77)81(52-35-40-59-55-24-14-18-30-67(55)78(3,4)72(59)46-52)75-62-28-12-13-29-63(62)76(66-44-50(34-39-64(66)75)49-22-10-9-11-23-49)82(53-36-41-60-56-25-15-19-31-68(56)79(5,6)73(60)47-53)54-37-42-61-57-26-16-20-32-69(57)80(7,8)74(61)48-54;1-3-15-45(16-4-1)55-31-37-61-63(43-55)65(67(57-33-27-47-19-7-11-23-51(47)39-57)58-34-28-48-20-8-12-24-52(48)40-58)62-38-32-56(46-17-5-2-6-18-46)44-64(62)66(61)68(59-35-29-49-21-9-13-25-53(49)41-59)60-36-30-50-22-10-14-26-54(50)42-60;1-41-19-37-52-54(39-41)57(63(50-33-25-46(26-34-50)60(8,9)10)51-35-27-47(28-36-51)61(11,12)13)55-40-43(42-17-15-14-16-18-42)20-38-53(55)56(52)62(48-29-21-44(22-30-48)58(2,3)4)49-31-23-45(24-32-49)59(5,6)7;1-7-19-37(20-8-1)39-31-33-45-47(35-39)49(51(41-23-11-3-12-24-41)42-25-13-4-14-26-42)46-34-32-40(38-21-9-2-10-22-38)36-48(46)50(45)52(43-27-15-5-16-28-43)44-29-17-6-18-30-44;1-33-11-21-40(22-12-33)50(41-23-13-34(2)14-24-41)48-44-29-19-37(5)31-46(44)49(47-32-39(20-30-45(47)48)38-9-7-6-8-10-38)51(42-25-15-35(3)16-26-42)43-27-17-36(4)18-28-43;1-47(2)45-33-36(24-23-35-25-28-41(29-26-35)48(37-15-7-3-8-16-37)38-17-9-4-10-18-38)27-31-43(45)44-32-30-42(34-46(44)47)49(39-19-11-5-12-20-39)40-21-13-6-14-22-40;1-2-14-29(15-3-1)30-26-27-37-38(28-30)44(46-41-24-12-8-18-33(41)34-19-9-13-25-42(34)46)36-21-5-4-20-35(36)43(37)45-39-22-10-6-16-31(39)32-17-7-11-23-40(32)45/h9-48H,1-8H3;1-44H;14-40H,1-13H3;1-36H;6-32H,1-5H3;3-22,25-34H,1-2H3;1-28H |
| InChIKey | UQDPUHBXDXMXRZ-UHFFFAOYSA-N |
| XLogP | 111.40 |
| TPSA | 48.74 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 411 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5282.99 |
| LogP ≤ 5 | 111.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |