3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline

C33H26ClN — CID 154527272

IUPAC3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline
SMILESCc1ccc(/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C33H26ClN/c1-25-17-19-27(20-18-25)32(26-11-5-2-6-12-26)23-28-21-22-31(24-33(28)34)35(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-24H,1H3/b32-23+
InChIKeyKWBPZSJRWXOGQS-AWSUPERCSA-N
MW472.03 g/mol
LogP9.71
Rot. Bonds6

About 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline

3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline (PubChem CID 154527272) has the molecular formula C33H26ClN and a molecular weight of 472.03 g/mol. Its IUPAC name is 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline
PubChem CID154527272
Molecular FormulaC33H26ClN
Molecular Weight472.03 g/mol
Exact Mass471.18
IUPAC Name3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline
SMILESCc1ccc(/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2Cl)c2ccccc2)cc1
InChIInChI=1S/C33H26ClN/c1-25-17-19-27(20-18-25)32(26-11-5-2-6-12-26)23-28-21-22-31(24-33(28)34)35(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-24H,1H3/b32-23+
InChIKeyKWBPZSJRWXOGQS-AWSUPERCSA-N
XLogP9.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.03
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline
CID 20685596
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
4-[2,2-bis(4-methylphenyl)ethenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine;4-(2,2-diphenylethenyl)-N-[4-(2,2-diphenylethenyl)phenyl]-N-(4-methylphenyl)naphthalen-1-amine
CID 161213338
N,N-diphenyl-4-[2-phenyl-2-[4-[1-phenyl-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline
CID 68997880
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
N-[4-[2,2-bis(4-chlorophenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 71096918
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline
CID 173389994
4-[3-(N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]-3-methyl-N,N-diphenylaniline
CID 163491704
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528
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
CID 22983512

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline?
The IUPAC name of 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline (CID 154527272) is 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline.
What is the SMILES notation for 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline?
The canonical SMILES for 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline is Cc1ccc(/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2Cl)c2ccccc2)cc1.
What is the InChIKey of 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline?
The InChIKey is KWBPZSJRWXOGQS-AWSUPERCSA-N. The full InChI is InChI=1S/C33H26ClN/c1-25-17-19-27(20-18-25)32(26-11-5-2-6-12-26)23-28-21-22-31(24-33(28)34)35(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-24H,1H3/b32-23+.
What are the key properties of 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline?
3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline has a molecular weight of 472.03 g/mol, XLogP of 9.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline is sourced from PubChem (CID 154527272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).