4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline

C51H39N — CID 70987021

IUPAC4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline
SMILESc1ccc(/C(=C(/c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C51H39N/c1-7-19-39(20-8-1)49(40-21-9-2-10-22-40)43-31-33-44(34-32-43)50(41-23-11-3-12-24-41)51(42-25-13-4-14-26-42)45-35-37-48(38-36-45)52(46-27-15-5-16-28-46)47-29-17-6-18-30-47/h1-38,49H/b51-50+
InChIKeyXVALHSFRJXLXLX-VPWQGRENSA-N
MW665.88 g/mol
LogP13.34
Rot. Bonds10

About 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline

4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline (PubChem CID 70987021) has the molecular formula C51H39N and a molecular weight of 665.88 g/mol. Its IUPAC name is 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline
PubChem CID70987021
Molecular FormulaC51H39N
Molecular Weight665.88 g/mol
Exact Mass665.31
IUPAC Name4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline
SMILESc1ccc(/C(=C(/c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C51H39N/c1-7-19-39(20-8-1)49(40-21-9-2-10-22-40)43-31-33-44(34-32-43)50(41-23-11-3-12-24-41)51(42-25-13-4-14-26-42)45-35-37-48(38-36-45)52(46-27-15-5-16-28-46)47-29-17-6-18-30-47/h1-38,49H/b51-50+
InChIKeyXVALHSFRJXLXLX-VPWQGRENSA-N
XLogP13.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.88
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Leucomalachite green
CID 67215
Leucocrystal Violet
CID 69048
Benzenamine, 4-(1-methyl-1-phenylethyl)-N-[4-(1-methyl-1-phenylethyl)phenyl]-
CID 82343
N,N'-Diphenylbenzidine
CID 68280
4-Methyl-N-(4-methylphenyl)-N-phenylbenzenamine
CID 88539
[1,1'-Biphenyl]-4,4'-diamine, N4,N4'-bis(3-methylphenyl)-N4,N4'-diphenyl-
CID 103315
1-[4-[1-Adamantyl(phenyl)methyl]phenyl]-4-cyclohexylpiperazine
CID 70696149
N,N'-bis[[4-(N-phenylanilino)phenyl]methyl]butane-1,4-diamine
CID 9916783
N-Tritylaniline
CID 138267
Benzenamine, 4,4',4'',4'''-(1,2-ethenediylidene)tetrakis[N,N-dimethyl-
CID 96274
Bis-biphenyl-4-yl-amine
CID 504244
N,N-Diphenyl-2-naphthylamine
CID 235845

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline (CID 70987021) is 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline is c1ccc(/C(=C(/c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline?
The InChIKey is XVALHSFRJXLXLX-VPWQGRENSA-N. The full InChI is InChI=1S/C51H39N/c1-7-19-39(20-8-1)49(40-21-9-2-10-22-40)43-31-33-44(34-32-43)50(41-23-11-3-12-24-41)51(42-25-13-4-14-26-42)45-35-37-48(38-36-45)52(46-27-15-5-16-28-46)47-29-17-6-18-30-47/h1-38,49H/b51-50+.
What are the key properties of 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline?
4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline has a molecular weight of 665.88 g/mol, XLogP of 13.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-benzhydrylphenyl)-1,2-diphenylethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 70987021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).