C154H112N4 — CID 161002585
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline (PubChem CID 161002585) has the molecular formula C154H112N4 and a molecular weight of 2018.62 g/mol. Its IUPAC name is N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline.
| Compound Name | N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline |
|---|---|
| PubChem CID | 161002585 |
| Molecular Formula | C154H112N4 |
| Molecular Weight | 2018.62 g/mol |
| Exact Mass | 2016.89 |
| IUPAC Name | N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline |
| SMILES | c1ccc(-c2ccc3c(c2)-c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2C3)cc1.c1ccc(-c2cccc(-c3ccc4c(c3)-c3cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc3C4)c2)cc1.c1ccc(-c2ccccc2-c2ccc3c(c2)-c2cc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)ccc2C3)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C4)cc2)cc1 |
| InChI | InChI=1S/2C43H31N.C37H27N.C31H23N/c1-4-12-32(13-5-1)40-18-10-11-19-41(40)36-23-22-35-28-34-21-20-33(29-42(34)43(35)30-36)31-24-26-39(27-25-31)44(37-14-6-2-7-15-37)38-16-8-3-9-17-38;1-4-11-31(12-5-1)33-13-10-14-34(27-33)36-20-22-38-28-37-21-19-35(29-42(37)43(38)30-36)32-23-25-41(26-24-32)44(39-15-6-2-7-16-39)40-17-8-3-9-18-40;1-4-10-27(11-5-1)29-16-18-31-24-32-19-17-30(26-37(32)36(31)25-29)28-20-22-35(23-21-28)38(33-12-6-2-7-13-33)34-14-8-3-9-15-34;1-3-10-27(11-4-1)32(28-12-5-2-6-13-28)29-19-17-23(18-20-29)24-15-16-26-21-25-9-7-8-14-30(25)31(26)22-24/h2*1-27,29-30H,28H2;1-23,25-26H,24H2;1-20,22H,21H2 |
| InChIKey | TWBPNSVWTKFDGI-UHFFFAOYSA-N |
| XLogP | 41.91 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 158 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2018.62 |
| LogP ≤ 5 | 41.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |