2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline

C34H29N — CID 20685596

IUPAC2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccccc2C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H29N/c1-26-17-21-31(22-18-26)35(32-23-19-27(2)20-24-32)34-16-10-9-15-30(34)25-33(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-25H,1-2H3
InChIKeyXLSCOECAZGEMME-UHFFFAOYSA-N
MW451.61 g/mol
LogP9.36
Rot. Bonds6

About 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline

2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline (PubChem CID 20685596) has the molecular formula C34H29N and a molecular weight of 451.61 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline.

Molecular Properties

Compound Name2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline
PubChem CID20685596
Molecular FormulaC34H29N
Molecular Weight451.61 g/mol
Exact Mass451.23
IUPAC Name2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccccc2C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H29N/c1-26-17-21-31(22-18-26)35(32-23-19-27(2)20-24-32)34-16-10-9-15-30(34)25-33(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-25H,1-2H3
InChIKeyXLSCOECAZGEMME-UHFFFAOYSA-N
XLogP9.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 59.36
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-[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
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
3-chloro-4-[(E)-2-(4-methylphenyl)-2-phenylethenyl]-N,N-diphenylaniline
CID 154527272
N-[4-(2,2-diphenylethenyl)phenyl]-N,4-dimethylaniline
CID 14549602
N-[4-[(E)-2-[2-[(E)-2-[4-[N-(2,4-dimethylphenyl)-4-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-(2,2-diphenylethenyl)phenyl]-2,4-dimethylaniline
CID 59833991
9-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-6,12-dimethyl-3-N,9-N-bis(4-methylphenyl)-3-N-[4-[(Z)-2-(4-methylphenyl)-2-phenylethenyl]phenyl]perylene-3,9-diamine
CID 20816635
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
4-methyl-N-(4-methylphenyl)-N-[4-(1-phenylbuta-1,3-dienyl)phenyl]aniline
CID 173389994
N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 22899856
6-[2-(4-benzylphenyl)-2-phenylethenyl]-N-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 77419755

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline?
The IUPAC name of 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline (CID 20685596) is 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline.
What is the SMILES notation for 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline?
The canonical SMILES for 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccccc2C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline?
The InChIKey is XLSCOECAZGEMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29N/c1-26-17-21-31(22-18-26)35(32-23-19-27(2)20-24-32)34-16-10-9-15-30(34)25-33(28-11-5-3-6-12-28)29-13-7-4-8-14-29/h3-25H,1-2H3.
What are the key properties of 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline?
2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline has a molecular weight of 451.61 g/mol, XLogP of 9.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-N,N-bis(4-methylphenyl)aniline is sourced from PubChem (CID 20685596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).