(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine

C26H21N — CID 135008766

IUPAC(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H21N/c1-19-11-13-23(14-12-19)26(27)25-10-6-5-9-24(25)22-17-15-21(16-18-22)20-7-3-2-4-8-20/h2-18,27H,1H3/b27-26+
InChIKeyOLBACXDGEOVRFO-CYYJNZCTSA-N
MW347.46 g/mol
LogP6.75
Rot. Bonds4

About (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine

(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine (PubChem CID 135008766) has the molecular formula C26H21N and a molecular weight of 347.46 g/mol. Its IUPAC name is (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine.

Molecular Properties

Compound Name(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine
PubChem CID135008766
Molecular FormulaC26H21N
Molecular Weight347.46 g/mol
Exact Mass347.17
IUPAC Name(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H21N/c1-19-11-13-23(14-12-19)26(27)25-10-6-5-9-24(25)22-17-15-21(16-18-22)20-7-3-2-4-8-20/h2-18,27H,1H3/b27-26+
InChIKeyOLBACXDGEOVRFO-CYYJNZCTSA-N
XLogP6.75
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine?
The IUPAC name of (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine (CID 135008766) is (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine.
What is the SMILES notation for (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine?
The canonical SMILES for (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine is [H]/N=C(\c1ccc(C)cc1)c1ccccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine?
The InChIKey is OLBACXDGEOVRFO-CYYJNZCTSA-N. The full InChI is InChI=1S/C26H21N/c1-19-11-13-23(14-12-19)26(27)25-10-6-5-9-24(25)22-17-15-21(16-18-22)20-7-3-2-4-8-20/h2-18,27H,1H3/b27-26+.
What are the key properties of (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine?
(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine has a molecular weight of 347.46 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine is sourced from PubChem (CID 135008766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).