2-phenyl-N,N,4-tris(4-phenylphenyl)aniline

C48H35N — CID 155123029

IUPAC2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C48H35N/c1-5-13-36(14-6-1)39-21-23-42(24-22-39)44-29-34-48(47(35-44)43-19-11-4-12-20-43)49(45-30-25-40(26-31-45)37-15-7-2-8-16-37)46-32-27-41(28-33-46)38-17-9-3-10-18-38/h1-35H
InChIKeyQWEJARLQIZKCCT-UHFFFAOYSA-N
MW625.82 g/mol
LogP13.49
Rot. Bonds8

About 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline

2-phenyl-N,N,4-tris(4-phenylphenyl)aniline (PubChem CID 155123029) has the molecular formula C48H35N and a molecular weight of 625.82 g/mol. Its IUPAC name is 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
PubChem CID155123029
Molecular FormulaC48H35N
Molecular Weight625.82 g/mol
Exact Mass625.28
IUPAC Name2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C48H35N/c1-5-13-36(14-6-1)39-21-23-42(24-22-39)44-29-34-48(47(35-44)43-19-11-4-12-20-43)49(45-30-25-40(26-31-45)37-15-7-2-8-16-37)46-32-27-41(28-33-46)38-17-9-3-10-18-38/h1-35H
InChIKeyQWEJARLQIZKCCT-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.82
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2,4-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 122419765
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254123
4-(2,4-diphenylphenyl)-2-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 155122963
N,N-bis(4-methylphenyl)-2,4-diphenylaniline
CID 22899750
N,N-bis(4-bromophenyl)-2,4-diphenylaniline
CID 146208364
2,4-diphenyl-N-(2-phenylphenyl)-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254200
4-[3-(3,5-diphenylphenyl)phenyl]-N,N,2-triphenylaniline;ethane
CID 157245116
N-(4-naphthalen-2-ylphenyl)-N,2-diphenyl-4-(3-phenylphenyl)aniline
CID 155123170
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
4-phenyl-1-N,1-N,3-N,3-N,6-pentakis(4-phenylphenyl)benzene-1,3-diamine
CID 118603870
N-[4-(3,4-diphenylphenyl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 164831679
N,2-diphenyl-N-(2-phenylphenyl)-4-[3-phenyl-4-(N-(2-phenylphenyl)anilino)phenyl]aniline
CID 121322799

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline?
The IUPAC name of 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline (CID 155123029) is 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline?
The canonical SMILES for 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline?
The InChIKey is QWEJARLQIZKCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35N/c1-5-13-36(14-6-1)39-21-23-42(24-22-39)44-29-34-48(47(35-44)43-19-11-4-12-20-43)49(45-30-25-40(26-31-45)37-15-7-2-8-16-37)46-32-27-41(28-33-46)38-17-9-3-10-18-38/h1-35H.
What are the key properties of 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline?
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline has a molecular weight of 625.82 g/mol, XLogP of 13.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N,4-tris(4-phenylphenyl)aniline is sourced from PubChem (CID 155123029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).