2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine

C27H23N — CID 66718951

IUPAC2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine
SMILESCc1ccc(-c2ccccc2C(=C(N)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23N/c1-20-16-18-21(19-17-20)24-14-8-9-15-25(24)26(22-10-4-2-5-11-22)27(28)23-12-6-3-7-13-23/h2-19H,28H2,1H3
InChIKeyPMMNOKFYPPLLFL-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.54
Rot. Bonds4

About 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine

2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine (PubChem CID 66718951) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine
PubChem CID66718951
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Name2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine
SMILESCc1ccc(-c2ccccc2C(=C(N)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H23N/c1-20-16-18-21(19-17-20)24-14-8-9-15-25(24)26(22-10-4-2-5-11-22)27(28)23-12-6-3-7-13-23/h2-19H,28H2,1H3
InChIKeyPMMNOKFYPPLLFL-UHFFFAOYSA-N
XLogP6.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine?
The IUPAC name of 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine (CID 66718951) is 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine.
What is the SMILES notation for 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine?
The canonical SMILES for 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine is Cc1ccc(-c2ccccc2C(=C(N)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine?
The InChIKey is PMMNOKFYPPLLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N/c1-20-16-18-21(19-17-20)24-14-8-9-15-25(24)26(22-10-4-2-5-11-22)27(28)23-12-6-3-7-13-23/h2-19H,28H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine?
2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine has a molecular weight of 361.49 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)phenyl]-1,2-diphenylethenamine is sourced from PubChem (CID 66718951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).