3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline

C45H36N2 — CID 91343059

IUPAC3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCc1cccc(N(c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C45H36N2/c1-35-12-11-19-45(34-35)47(44-32-26-39(27-33-44)38-13-5-2-6-14-38)43-30-24-37(25-31-43)21-20-36-22-28-42(29-23-36)46(40-15-7-3-8-16-40)41-17-9-4-10-18-41/h2-34H,1H3
InChIKeyIZHFHDITHCOZOQ-UHFFFAOYSA-N
MW604.80 g/mol
LogP12.77
Rot. Bonds9

About 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline

3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 91343059) has the molecular formula C45H36N2 and a molecular weight of 604.80 g/mol. Its IUPAC name is 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID91343059
Molecular FormulaC45H36N2
Molecular Weight604.80 g/mol
Exact Mass604.29
IUPAC Name3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESCc1cccc(N(c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C45H36N2/c1-35-12-11-19-45(34-35)47(44-32-26-39(27-33-44)38-13-5-2-6-14-38)43-30-24-37(25-31-43)21-20-36-22-28-42(29-23-36)46(40-15-7-3-8-16-40)41-17-9-4-10-18-41/h2-34H,1H3
InChIKeyIZHFHDITHCOZOQ-UHFFFAOYSA-N
XLogP12.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
3-methyl-N-[4-[2-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 59938925
3,5-dimethyl-N-[4-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 89067583
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N-(3-methylphenyl)-N-[4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 91284836
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
N-[4-[4-[2-[4-[4-(N-(3,5-dimethylphenyl)anilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-3,5-dimethyl-N-phenylaniline
CID 90921715
N-(3,5-dimethylphenyl)-3,5-dimethyl-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 91323757

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline (CID 91343059) is 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline is Cc1cccc(N(c2ccc(C=Cc3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is IZHFHDITHCOZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N2/c1-35-12-11-19-45(34-35)47(44-32-26-39(27-33-44)38-13-5-2-6-14-38)43-30-24-37(25-31-43)21-20-36-22-28-42(29-23-36)46(40-15-7-3-8-16-40)41-17-9-4-10-18-41/h2-34H,1H3.
What are the key properties of 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline?
3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 604.80 g/mol, XLogP of 12.77, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 91343059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).