5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline

C26H23N — CID 18332092

IUPAC5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline
SMILESCc1ccc(-c2ccccc2)c(Nc2cc(C)ccc2-c2ccccc2)c1
InChIInChI=1S/C26H23N/c1-19-13-15-23(21-9-5-3-6-10-21)25(17-19)27-26-18-20(2)14-16-24(26)22-11-7-4-8-12-22/h3-18,27H,1-2H3
InChIKeyFKJSHTSNXYCHPK-UHFFFAOYSA-N
MW349.48 g/mol
LogP7.38
Rot. Bonds4

About 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline

5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline (PubChem CID 18332092) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline.

Molecular Properties

Compound Name5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline
PubChem CID18332092
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline
SMILESCc1ccc(-c2ccccc2)c(Nc2cc(C)ccc2-c2ccccc2)c1
InChIInChI=1S/C26H23N/c1-19-13-15-23(21-9-5-3-6-10-21)25(17-19)27-26-18-20(2)14-16-24(26)22-11-7-4-8-12-22/h3-18,27H,1-2H3
InChIKeyFKJSHTSNXYCHPK-UHFFFAOYSA-N
XLogP7.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline?
The IUPAC name of 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline (CID 18332092) is 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline.
What is the SMILES notation for 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline?
The canonical SMILES for 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline is Cc1ccc(-c2ccccc2)c(Nc2cc(C)ccc2-c2ccccc2)c1.
What is the InChIKey of 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline?
The InChIKey is FKJSHTSNXYCHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-19-13-15-23(21-9-5-3-6-10-21)25(17-19)27-26-18-20(2)14-16-24(26)22-11-7-4-8-12-22/h3-18,27H,1-2H3.
What are the key properties of 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline?
5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline has a molecular weight of 349.48 g/mol, XLogP of 7.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-methyl-2-phenylphenyl)-2-phenylaniline is sourced from PubChem (CID 18332092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).