2-(4-methyl-2,6-diphenylphenyl)aniline

C25H21N — CID 102107876

IUPAC2-(4-methyl-2,6-diphenylphenyl)aniline
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2N)c(-c2ccccc2)c1
InChIInChI=1S/C25H21N/c1-18-16-22(19-10-4-2-5-11-19)25(21-14-8-9-15-24(21)26)23(17-18)20-12-6-3-7-13-20/h2-17H,26H2,1H3
InChIKeyRRTCPTUPDBIKRW-UHFFFAOYSA-N
MW335.45 g/mol
LogP6.58
Rot. Bonds3

About 2-(4-methyl-2,6-diphenylphenyl)aniline

2-(4-methyl-2,6-diphenylphenyl)aniline (PubChem CID 102107876) has the molecular formula C25H21N and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(4-methyl-2,6-diphenylphenyl)aniline.

Molecular Properties

Compound Name2-(4-methyl-2,6-diphenylphenyl)aniline
PubChem CID102107876
Molecular FormulaC25H21N
Molecular Weight335.45 g/mol
Exact Mass335.17
IUPAC Name2-(4-methyl-2,6-diphenylphenyl)aniline
SMILESCc1cc(-c2ccccc2)c(-c2ccccc2N)c(-c2ccccc2)c1
InChIInChI=1S/C25H21N/c1-18-16-22(19-10-4-2-5-11-19)25(21-14-8-9-15-24(21)26)23(17-18)20-12-6-3-7-13-20/h2-17H,26H2,1H3
InChIKeyRRTCPTUPDBIKRW-UHFFFAOYSA-N
XLogP6.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-phenylaniline;hydrochloride
CID 5284347
CID 159962191
CID 159962191
palladium(2+);2-phenylaniline
CID 175718665
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
2-methyl-3-phenylaniline
CID 10511683
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
(4-methyl-2,6-diphenylphenyl)stibane
CID 173432730
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
3-methyl-6-phenylbenzene-1,2-diamine;3-phenylbenzene-1,2-diamine
CID 67882576
2-(2,4-diphenylphenyl)aniline
CID 163426287
2-(3-methylphenyl)-6-phenylaniline
CID 150906011

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,6-diphenylphenyl)aniline?
The IUPAC name of 2-(4-methyl-2,6-diphenylphenyl)aniline (CID 102107876) is 2-(4-methyl-2,6-diphenylphenyl)aniline.
What is the SMILES notation for 2-(4-methyl-2,6-diphenylphenyl)aniline?
The canonical SMILES for 2-(4-methyl-2,6-diphenylphenyl)aniline is Cc1cc(-c2ccccc2)c(-c2ccccc2N)c(-c2ccccc2)c1.
What is the InChIKey of 2-(4-methyl-2,6-diphenylphenyl)aniline?
The InChIKey is RRTCPTUPDBIKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N/c1-18-16-22(19-10-4-2-5-11-19)25(21-14-8-9-15-24(21)26)23(17-18)20-12-6-3-7-13-20/h2-17H,26H2,1H3.
What are the key properties of 2-(4-methyl-2,6-diphenylphenyl)aniline?
2-(4-methyl-2,6-diphenylphenyl)aniline has a molecular weight of 335.45 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,6-diphenylphenyl)aniline is sourced from PubChem (CID 102107876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).