4-(4-benzhydrylphenyl)-N,N-diphenylaniline

C37H29N — CID 58782687

IUPAC4-(4-benzhydrylphenyl)-N,N-diphenylaniline
SMILESc1ccc(C(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C37H29N/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)33-23-21-29(22-24-33)30-25-27-36(28-26-30)38(34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-28,37H
InChIKeyTVSITHYGLMBYLW-UHFFFAOYSA-N
MW487.65 g/mol
LogP10.00
Rot. Bonds7

About 4-(4-benzhydrylphenyl)-N,N-diphenylaniline

4-(4-benzhydrylphenyl)-N,N-diphenylaniline (PubChem CID 58782687) has the molecular formula C37H29N and a molecular weight of 487.65 g/mol. Its IUPAC name is 4-(4-benzhydrylphenyl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(4-benzhydrylphenyl)-N,N-diphenylaniline
PubChem CID58782687
Molecular FormulaC37H29N
Molecular Weight487.65 g/mol
Exact Mass487.23
IUPAC Name4-(4-benzhydrylphenyl)-N,N-diphenylaniline
SMILESc1ccc(C(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C37H29N/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)33-23-21-29(22-24-33)30-25-27-36(28-26-30)38(34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-28,37H
InChIKeyTVSITHYGLMBYLW-UHFFFAOYSA-N
XLogP10.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.65
LogP ≤ 510.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
CID 118359961
4-N-[3-[3-[3-(N-(4-benzhydrylphenyl)anilino)phenyl]-5-phenylphenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 90071775
2-[4-[[4-[4-(N-[4-(2-hydroxyethyl)phenyl]anilino)phenyl]phenyl]-phenylmethyl]phenyl]ethanol
CID 54265390
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
CID 58059868
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydrylphenyl)-N,N-diphenylaniline?
The IUPAC name of 4-(4-benzhydrylphenyl)-N,N-diphenylaniline (CID 58782687) is 4-(4-benzhydrylphenyl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(4-benzhydrylphenyl)-N,N-diphenylaniline?
The canonical SMILES for 4-(4-benzhydrylphenyl)-N,N-diphenylaniline is c1ccc(C(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-benzhydrylphenyl)-N,N-diphenylaniline?
The InChIKey is TVSITHYGLMBYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N/c1-5-13-31(14-6-1)37(32-15-7-2-8-16-32)33-23-21-29(22-24-33)30-25-27-36(28-26-30)38(34-17-9-3-10-18-34)35-19-11-4-12-20-35/h1-28,37H.
What are the key properties of 4-(4-benzhydrylphenyl)-N,N-diphenylaniline?
4-(4-benzhydrylphenyl)-N,N-diphenylaniline has a molecular weight of 487.65 g/mol, XLogP of 10.00, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydrylphenyl)-N,N-diphenylaniline is sourced from PubChem (CID 58782687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).