C140H113N3 — CID 159322510
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine (PubChem CID 159322510) has the molecular formula C140H113N3 and a molecular weight of 1837.46 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine.
| Compound Name | N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine |
|---|---|
| PubChem CID | 159322510 |
| Molecular Formula | C140H113N3 |
| Molecular Weight | 1837.46 g/mol |
| Exact Mass | 1835.89 |
| IUPAC Name | N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-1-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5c4C(C)(C)c4ccccc4-5)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc5ccccc5c4)c4cccc5c4C(C)(C)c4ccccc4-5)cc3)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4cccc5c4C(C)(C)c4ccccc4-5)c4cccc5ccccc45)cc3)ccc21 |
| InChI | InChI=1S/C48H39N.2C46H37N/c1-47(2)42-18-10-9-16-39(42)41-31-35(25-30-44(41)47)34-23-28-37(29-24-34)49(36-26-21-33(22-27-36)32-13-6-5-7-14-32)45-20-12-17-40-38-15-8-11-19-43(38)48(3,4)46(40)45;1-45(2)39-19-9-8-17-36(39)38-29-32(25-28-41(38)45)30-23-26-33(27-24-30)47(42-21-11-14-31-13-5-6-15-34(31)42)43-22-12-18-37-35-16-7-10-20-40(35)46(3,4)44(37)43;1-45(2)40-17-9-8-15-37(40)39-29-33(23-27-42(39)45)31-20-24-34(25-21-31)47(35-26-22-30-12-5-6-13-32(30)28-35)43-19-11-16-38-36-14-7-10-18-41(36)46(3,4)44(38)43/h5-31H,1-4H3;2*5-29H,1-4H3 |
| InChIKey | LDYGAWOJBGZLEL-UHFFFAOYSA-N |
| XLogP | 38.28 |
| TPSA | 9.72 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 143 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1837.46 |
| LogP ≤ 5 | 38.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |