C140H117N7 — CID 158298259
1-N-methyl-4-N-phenyl-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-methyl-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,9,9-trimethyl-N-naphthalen-2-ylfluoren-4-amine;N,9,9-trimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine (PubChem CID 158298259) has the molecular formula C140H117N7 and a molecular weight of 1897.52 g/mol. Its IUPAC name is 1-N-methyl-4-N-phenyl-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-methyl-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,9,9-trimethyl-N-naphthalen-2-ylfluoren-4-amine;N,9,9-trimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine.
| Compound Name | 1-N-methyl-4-N-phenyl-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-methyl-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,9,9-trimethyl-N-naphthalen-2-ylfluoren-4-amine;N,9,9-trimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine |
|---|---|
| PubChem CID | 158298259 |
| Molecular Formula | C140H117N7 |
| Molecular Weight | 1897.52 g/mol |
| Exact Mass | 1895.94 |
| IUPAC Name | 1-N-methyl-4-N-phenyl-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;N-methyl-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N,9,9-trimethyl-N-naphthalen-2-ylfluoren-4-amine;N,9,9-trimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine |
| SMILES | CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CN(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.CN(c1ccc(-c2ccccc2)cc1)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1.CN(c1ccc2ccccc2c1)c1cccc2c1-c1ccccc1C2(C)C |
| InChI | InChI=1S/C40H34N2.2C37H30N2.C26H23N/c1-40(2)38-17-11-10-16-36(38)37-27-26-35(28-39(37)40)41(3)31-22-18-29(19-23-31)30-20-24-34(25-21-30)42(32-12-6-4-7-13-32)33-14-8-5-9-15-33;1-38(33-23-17-30(18-24-33)29-11-5-2-6-12-29)34-25-19-31(20-26-34)32-21-27-37(28-22-32)39(35-13-7-3-8-14-35)36-15-9-4-10-16-36;1-38(33-21-17-31(18-22-33)29-11-5-2-6-12-29)34-25-27-37(28-26-34)39(35-15-9-4-10-16-35)36-23-19-32(20-24-36)30-13-7-3-8-14-30;1-26(2)22-12-7-6-11-21(22)25-23(26)13-8-14-24(25)27(3)20-16-15-18-9-4-5-10-19(18)17-20/h4-28H,1-3H3;2*2-28H,1H3;4-17H,1-3H3 |
| InChIKey | GMEJAHJGQXNXFL-UHFFFAOYSA-N |
| XLogP | 38.33 |
| TPSA | 22.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 147 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1897.52 |
| LogP ≤ 5 | 38.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |