4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline

C53H44N2 — CID 163491704

IUPAC4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline
SMILESCc1ccc(C(=Cc2ccc(N(c3ccccc3)c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4C)c3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C53H44N2/c1-39-22-28-43(29-23-39)53(44-30-24-40(2)25-31-44)37-42-26-32-49(33-27-42)55(48-19-11-6-12-20-48)50-21-13-14-45(38-50)52-35-34-51(36-41(52)3)54(46-15-7-4-8-16-46)47-17-9-5-10-18-47/h4-38H,1-3H3
InChIKeyCNFDEMPRLAXXRX-UHFFFAOYSA-N
MW708.95 g/mol
LogP14.81
Rot. Bonds10

About 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline

4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline (PubChem CID 163491704) has the molecular formula C53H44N2 and a molecular weight of 708.95 g/mol. Its IUPAC name is 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline
PubChem CID163491704
Molecular FormulaC53H44N2
Molecular Weight708.95 g/mol
Exact Mass708.35
IUPAC Name4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline
SMILESCc1ccc(C(=Cc2ccc(N(c3ccccc3)c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4C)c3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C53H44N2/c1-39-22-28-43(29-23-39)53(44-30-24-40(2)25-31-44)37-42-26-32-49(33-27-42)55(48-19-11-6-12-20-48)50-21-13-14-45(38-50)52-35-34-51(36-41(52)3)54(46-15-7-4-8-16-46)47-17-9-5-10-18-47/h4-38H,1-3H3
InChIKeyCNFDEMPRLAXXRX-UHFFFAOYSA-N
XLogP14.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.95
LogP ≤ 514.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline with MolForge

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
3-N,8-N-bis[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-3-N,8-N-bis(4-methylphenyl)fluoranthene-3,8-diamine
CID 87372229
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N-[4-[2-[4-[2-[4-[N-(3,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-3,4-dimethylaniline
CID 72573967
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
4-N-[4-[4-(2,2-diphenylethenyl)naphthalen-1-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-[4-[4-(2,2-diphenylethenyl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]-4-N-[4-[4-[2-phenyl-2-(4-phenylphenyl)ethenyl]naphthalen-1-yl]phenyl]benzene-1,4-diamine
CID 158863365
3-[4-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]prop-2-enoic acid
CID 123770908
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 157429569
N-[4-(2,2-diphenylethenyl)phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[2-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159829697
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331

Frequently Asked Questions

What is the IUPAC name of 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline?
The IUPAC name of 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline (CID 163491704) is 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline.
What is the SMILES notation for 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline?
The canonical SMILES for 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline is Cc1ccc(C(=Cc2ccc(N(c3ccccc3)c3cccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4C)c3)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline?
The InChIKey is CNFDEMPRLAXXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44N2/c1-39-22-28-43(29-23-39)53(44-30-24-40(2)25-31-44)37-42-26-32-49(33-27-42)55(48-19-11-6-12-20-48)50-21-13-14-45(38-50)52-35-34-51(36-41(52)3)54(46-15-7-4-8-16-46)47-17-9-5-10-18-47/h4-38H,1-3H3.
What are the key properties of 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline?
4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline has a molecular weight of 708.95 g/mol, XLogP of 14.81, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline is sourced from PubChem (CID 163491704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).