3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline

C75H54F6N4O2 — CID 159976538

About 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline

3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline (PubChem CID 159976538) has the molecular formula C75H54F6N4O2 and a molecular weight of 1157.27 g/mol. Its IUPAC name is 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline.

Molecular Properties

• Compound Name: 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline
• PubChem CID: 159976538
• Molecular Formula: C75H54F6N4O2
• Molecular Weight: 1157.27 g/mol
• Exact Mass: 1156.42
• IUPAC Name: 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline
• SMILES: Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5C(F)(F)F)c(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc2-c2ccccc2)c(C(F)(F)F)c1.Nc1cccc(-c2ccccc2-c2ccccc2-c2cccc(N)c2)c1
• InChI: InChI=1S/C51H34F6N2O2.C24H20N2/c52-50(53,54)43-29-35(58)21-25-47(43)60-45-23-19-33(27-39(45)31-11-3-1-4-12-31)49(41-17-9-7-15-37(41)38-16-8-10-18-42(38)49)34-20-24-46(40(28-34)32-13-5-2-6-14-32)61-48-26-22-36(59)30-44(48)51(55,56)57;25-19-9-5-7-17(15-19)21-11-1-3-13-23(21)24-14-4-2-12-22(24)18-8-6-10-20(26)16-18/h1-30H,58-59H2;1-16H,25-26H2
• InChIKey: OFFPZPPFCLVOIP-UHFFFAOYSA-N
• XLogP: 20.02
• TPSA: 122.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1157.27
LogP ≤ 5	20.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline?

The IUPAC name of 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline (CID 159976538) is 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline.

What is the SMILES notation for 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline?

The canonical SMILES for 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline is Nc1ccc(Oc2ccc(C3(c4ccc(Oc5ccc(N)cc5C(F)(F)F)c(-c5ccccc5)c4)c4ccccc4-c4ccccc43)cc2-c2ccccc2)c(C(F)(F)F)c1.Nc1cccc(-c2ccccc2-c2ccccc2-c2cccc(N)c2)c1.

What is the InChIKey of 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline?

The InChIKey is OFFPZPPFCLVOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34F6N2O2.C24H20N2/c52-50(53,54)43-29-35(58)21-25-47(43)60-45-23-19-33(27-39(45)31-11-3-1-4-12-31)49(41-17-9-7-15-37(41)38-16-8-10-18-42(38)49)34-20-24-46(40(28-34)32-13-5-2-6-14-32)61-48-26-22-36(59)30-44(48)51(55,56)57;25-19-9-5-7-17(15-19)21-11-1-3-13-23(21)24-14-4-2-12-22(24)18-8-6-10-20(26)16-18/h1-30H,58-59H2;1-16H,25-26H2.

What are the key properties of 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline?

3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline has a molecular weight of 1157.27 g/mol, XLogP of 20.02, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline;4-[4-[9-[4-[4-amino-2-(trifluoromethyl)phenoxy]-3-phenylphenyl]fluoren-9-yl]-2-phenylphenoxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 159976538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).