N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline

C26H23N — CID 58151391

IUPACN-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
SMILESCc1ccc(-c2cccc(-c3ccc(N(C)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C26H23N/c1-20-11-13-21(14-12-20)23-7-6-8-24(19-23)22-15-17-26(18-16-22)27(2)25-9-4-3-5-10-25/h3-19H,1-2H3
InChIKeyFPVHTZFZEVGZQR-UHFFFAOYSA-N
MW349.48 g/mol
LogP7.10
Rot. Bonds4

About N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline

N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline (PubChem CID 58151391) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
PubChem CID58151391
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC NameN-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline
SMILESCc1ccc(-c2cccc(-c3ccc(N(C)c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C26H23N/c1-20-11-13-21(14-12-20)23-7-6-8-24(19-23)22-15-17-26(18-16-22)27(2)25-9-4-3-5-10-25/h3-19H,1-2H3
InChIKeyFPVHTZFZEVGZQR-UHFFFAOYSA-N
XLogP7.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline?
The IUPAC name of N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline (CID 58151391) is N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline.
What is the SMILES notation for N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline?
The canonical SMILES for N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline is Cc1ccc(-c2cccc(-c3ccc(N(C)c4ccccc4)cc3)c2)cc1.
What is the InChIKey of N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline?
The InChIKey is FPVHTZFZEVGZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-20-11-13-21(14-12-20)23-7-6-8-24(19-23)22-15-17-26(18-16-22)27(2)25-9-4-3-5-10-25/h3-19H,1-2H3.
What are the key properties of N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline?
N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline has a molecular weight of 349.48 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(4-methylphenyl)phenyl]-N-phenylaniline is sourced from PubChem (CID 58151391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).