[2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine

C47H39N — CID 170361542

IUPAC[2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1cccc(C)c1-c1c(CCC)cccc1-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C47H39N/c1-3-16-36-24-15-27-43(46(36)45-33(2)17-13-28-44(45)47(48)37-22-11-6-12-23-37)39-26-14-25-38(29-39)42-31-40(34-18-7-4-8-19-34)30-41(32-42)35-20-9-5-10-21-35/h4-15,17-32,48H,3,16H2,1-2H3/b48-47+
InChIKeyULFSZMKMNWVDEX-QJGAVIKSSA-N
MW617.84 g/mol
LogP12.70
Rot. Bonds9

About [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine

[2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine (PubChem CID 170361542) has the molecular formula C47H39N and a molecular weight of 617.84 g/mol. Its IUPAC name is [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine.

Molecular Properties

Compound Name[2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine
PubChem CID170361542
Molecular FormulaC47H39N
Molecular Weight617.84 g/mol
Exact Mass617.31
IUPAC Name[2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine
SMILES[H]/N=C(\c1ccccc1)c1cccc(C)c1-c1c(CCC)cccc1-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C47H39N/c1-3-16-36-24-15-27-43(46(36)45-33(2)17-13-28-44(45)47(48)37-22-11-6-12-23-37)39-26-14-25-38(29-39)42-31-40(34-18-7-4-8-19-34)30-41(32-42)35-20-9-5-10-21-35/h4-15,17-32,48H,3,16H2,1-2H3/b48-47+
InChIKeyULFSZMKMNWVDEX-QJGAVIKSSA-N
XLogP12.70
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.84
LogP ≤ 512.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine?
The IUPAC name of [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine (CID 170361542) is [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine.
What is the SMILES notation for [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine?
The canonical SMILES for [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine is [H]/N=C(\c1ccccc1)c1cccc(C)c1-c1c(CCC)cccc1-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.
What is the InChIKey of [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine?
The InChIKey is ULFSZMKMNWVDEX-QJGAVIKSSA-N. The full InChI is InChI=1S/C47H39N/c1-3-16-36-24-15-27-43(46(36)45-33(2)17-13-28-44(45)47(48)37-22-11-6-12-23-37)39-26-14-25-38(29-39)42-31-40(34-18-7-4-8-19-34)30-41(32-42)35-20-9-5-10-21-35/h4-15,17-32,48H,3,16H2,1-2H3/b48-47+.
What are the key properties of [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine?
[2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine has a molecular weight of 617.84 g/mol, XLogP of 12.70, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine is sourced from PubChem (CID 170361542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).