3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline

C38H32N2 — CID 144815999

IUPAC3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline
SMILESCN(c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccccc2Cc2ccccc2)c(Cc2ccccc2)c1
InChIInChI=1S/C38H32N2/c1-40(35-18-16-31(17-19-35)32-22-24-39-25-23-32)36-20-21-38(34(28-36)27-30-12-6-3-7-13-30)37-15-9-8-14-33(37)26-29-10-4-2-5-11-29/h2-25,28H,26-27H2,1H3
InChIKeyICHYLCAIFOXOCP-UHFFFAOYSA-N
MW516.69 g/mol
LogP9.37
Rot. Bonds8

About 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline

3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline (PubChem CID 144815999) has the molecular formula C38H32N2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline.

Molecular Properties

Compound Name3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline
PubChem CID144815999
Molecular FormulaC38H32N2
Molecular Weight516.69 g/mol
Exact Mass516.26
IUPAC Name3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline
SMILESCN(c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccccc2Cc2ccccc2)c(Cc2ccccc2)c1
InChIInChI=1S/C38H32N2/c1-40(35-18-16-31(17-19-35)32-22-24-39-25-23-32)36-20-21-38(34(28-36)27-30-12-6-3-7-13-30)37-15-9-8-14-33(37)26-29-10-4-2-5-11-29/h2-25,28H,26-27H2,1H3
InChIKeyICHYLCAIFOXOCP-UHFFFAOYSA-N
XLogP9.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-4-pyridin-4-ylaniline
CID 23466191
3-(2-butylphenyl)-N,4-dimethyl-N-(4-phenylphenyl)aniline
CID 145354364
4-(4-benzylphenyl)pyridine
CID 174553937
N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
N-methyl-N-phenyl-3-(3-phenylphenyl)aniline;N-methyl-N-phenyl-3-(4-phenylphenyl)aniline;N-methyl-N-phenyl-4-(2-phenylphenyl)aniline;N-methyl-N-phenyl-4-(3-phenylphenyl)aniline
CID 158130832
N-methyl-8-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 163926030
1-benzyl-2-(fluoromethyl)benzene;ethane;4-(4-ethylphenyl)pyridine
CID 144940225
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
N-methyl-N-(4-phenylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 70891401
N-methyl-N-[4-(4-phenylphenyl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 166028530
4-[4-[2,4-diphenyl-5-(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 67990612
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline?
The IUPAC name of 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline (CID 144815999) is 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline.
What is the SMILES notation for 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline?
The canonical SMILES for 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline is CN(c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccccc2Cc2ccccc2)c(Cc2ccccc2)c1.
What is the InChIKey of 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline?
The InChIKey is ICHYLCAIFOXOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2/c1-40(35-18-16-31(17-19-35)32-22-24-39-25-23-32)36-20-21-38(34(28-36)27-30-12-6-3-7-13-30)37-15-9-8-14-33(37)26-29-10-4-2-5-11-29/h2-25,28H,26-27H2,1H3.
What are the key properties of 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline?
3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline has a molecular weight of 516.69 g/mol, XLogP of 9.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-(2-benzylphenyl)-N-methyl-N-(4-pyridin-4-ylphenyl)aniline is sourced from PubChem (CID 144815999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).