C239H186N14 — CID 159625634
2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine (PubChem CID 159625634) has the molecular formula C239H186N14 and a molecular weight of 3254.21 g/mol. Its IUPAC name is 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine.
| Compound Name | 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine |
|---|---|
| PubChem CID | 159625634 |
| Molecular Formula | C239H186N14 |
| Molecular Weight | 3254.21 g/mol |
| Exact Mass | 3251.50 |
| IUPAC Name | 2-N,7-N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenylfluorene-2,7-diamine;N,9-diphenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine |
| SMILES | CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)c3cc(N(c5ccccc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc3-4)cc21.Cc1cccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)c1.c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc(N(c6ccccc6)c6ccccc6)cc5)cc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1 |
| InChI | InChI=1S/C60H46N4.C57H48N2.C42H29N3.C42H31N3.C38H32N2/c1-7-19-49(20-8-1)61(50-21-9-2-10-22-50)57-39-43-59(44-40-57)63(53-27-15-5-16-28-53)55-35-31-47(32-36-55)48-33-37-56(38-34-48)64(54-29-17-6-18-30-54)60-45-41-58(42-46-60)62(51-23-11-3-12-24-51)52-25-13-4-14-26-52;1-55(2)49-23-15-13-21-43(49)45-29-25-39(33-51(45)55)58(37-17-9-7-10-18-37)41-27-31-47-48-32-28-42(36-54(48)57(5,6)53(47)35-41)59(38-19-11-8-12-20-38)40-26-30-46-44-22-14-16-24-50(44)56(3,4)52(46)34-40;1-4-14-30(15-5-1)43(33-24-26-41-37(28-33)35-20-10-12-22-39(35)44(41)31-16-6-2-7-17-31)34-25-27-42-38(29-34)36-21-11-13-23-40(36)45(42)32-18-8-3-9-19-32;1-5-15-32(16-6-1)43(33-17-7-2-8-18-33)36-25-27-37(28-26-36)44(34-19-9-3-10-20-34)38-29-30-42-40(31-38)39-23-13-14-24-41(39)45(42)35-21-11-4-12-22-35;1-29-11-9-17-37(27-29)39(33-13-5-3-6-14-33)35-23-19-31(20-24-35)32-21-25-36(26-22-32)40(34-15-7-4-8-16-34)38-18-10-12-30(2)28-38/h1-46H;7-36H,1-6H3;1-29H;1-31H;3-28H,1-2H3 |
| InChIKey | MOLJSEHATABMFS-UHFFFAOYSA-N |
| XLogP | 66.76 |
| TPSA | 50.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 253 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3254.21 |
| LogP ≤ 5 | 66.76 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |