2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline

C41H36N2 — CID 89074819

IUPAC2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
SMILESCc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2ccc(N(c3ccccc3C)c3ccccc3C)cc2)cc1
InChIInChI=1S/C41H36N2/c1-31-13-7-10-18-39(31)42(36-16-5-4-6-17-36)37-27-23-34(24-28-37)21-22-35-25-29-38(30-26-35)43(40-19-11-8-14-32(40)2)41-20-12-9-15-33(41)3/h4-30H,1-3H3/b22-21+
InChIKeyLGWCBPCFESUYCT-QURGRASLSA-N
MW556.75 g/mol
LogP11.72
Rot. Bonds8

About 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline

2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline (PubChem CID 89074819) has the molecular formula C41H36N2 and a molecular weight of 556.75 g/mol. Its IUPAC name is 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline.

Molecular Properties

Compound Name2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
PubChem CID89074819
Molecular FormulaC41H36N2
Molecular Weight556.75 g/mol
Exact Mass556.29
IUPAC Name2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
SMILESCc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2ccc(N(c3ccccc3C)c3ccccc3C)cc2)cc1
InChIInChI=1S/C41H36N2/c1-31-13-7-10-18-39(31)42(36-16-5-4-6-17-36)37-27-23-34(24-28-37)21-22-35-25-29-38(30-26-35)43(40-19-11-8-14-32(40)2)41-20-12-9-15-33(41)3/h4-30H,1-3H3/b22-21+
InChIKeyLGWCBPCFESUYCT-QURGRASLSA-N
XLogP11.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.75
LogP ≤ 511.72
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

ethane;2-methyl-N-phenyl-N-(4-prop-1-enylphenyl)aniline
CID 91295251
N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
CID 91106273
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
2-methyl-N-[4-[2-[2-[2-[4-(4-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 59366113
N-(2-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 89067942
N-(2-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-1-amine
CID 89074731
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
2-methyl-N-[4-[4-(2-methyl-N-[2-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]phenyl]-N-[2-[(E)-2-phenylethenyl]phenyl]aniline
CID 58876508
N-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(N-(2,6-dimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]-2,6-dimethyl-N-phenylaniline
CID 11354736
N-[4-[4-[(E)-2-[4-[4-(2-methyl-N-naphthalen-1-ylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]-N-(2-methylphenyl)naphthalen-1-amine
CID 89068089

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline?
The IUPAC name of 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline (CID 89074819) is 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline.
What is the SMILES notation for 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline?
The canonical SMILES for 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline is Cc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2ccc(N(c3ccccc3C)c3ccccc3C)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline?
The InChIKey is LGWCBPCFESUYCT-QURGRASLSA-N. The full InChI is InChI=1S/C41H36N2/c1-31-13-7-10-18-39(31)42(36-16-5-4-6-17-36)37-27-23-34(24-28-37)21-22-35-25-29-38(30-26-35)43(40-19-11-8-14-32(40)2)41-20-12-9-15-33(41)3/h4-30H,1-3H3/b22-21+.
What are the key properties of 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline?
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline has a molecular weight of 556.75 g/mol, XLogP of 11.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline is sourced from PubChem (CID 89074819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).