3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline

C27H23N — CID 54520687

IUPAC3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
SMILESCc1cc(N(c2ccccc2)c2ccccc2)ccc1C=Cc1ccccc1
InChIInChI=1S/C27H23N/c1-22-21-27(20-19-24(22)18-17-23-11-5-2-6-12-23)28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3
InChIKeyYPOWNLBQPPKWBL-UHFFFAOYSA-N
MW361.49 g/mol
LogP7.64
Rot. Bonds5

About 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline

3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline (PubChem CID 54520687) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline.

Molecular Properties

Compound Name3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
PubChem CID54520687
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Name3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline
SMILESCc1cc(N(c2ccccc2)c2ccccc2)ccc1C=Cc1ccccc1
InChIInChI=1S/C27H23N/c1-22-21-27(20-19-24(22)18-17-23-11-5-2-6-12-23)28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3
InChIKeyYPOWNLBQPPKWBL-UHFFFAOYSA-N
XLogP7.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 57.64
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

3-methyl-4-[2-[4-[2-[2-methyl-4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N-(4-methylphenyl)-N-phenylaniline
CID 59805392
N-[4-[(E)-2-[2-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)-2-methylphenyl]ethenyl]phenyl]ethenyl]-3-methylphenyl]-3,4-dimethyl-N-phenylaniline
CID 22900179
3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
CID 22899863
3-methyl-4-[2-[4-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
CID 59920425
methane;3-methyl-N,N-bis(4-methylphenyl)-4-[(E)-2-(4-methylphenyl)ethenyl]aniline
CID 158838824
3-methyl-4-[(E)-2-[2-[(E)-2-[2-methyl-4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(4-methylphenyl)aniline
CID 22899848
3-methyl-4-[2-[2-[2-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-bis(3-methylphenyl)aniline
CID 59920412
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
N-[4-[(E)-2-[4-(N-[4-[(E)-2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]-3-methylphenyl]-4-pentoxyanilino)-2-methylphenyl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 118245572
3,4,5-trimethyl-N-[3-methyl-4-[(E)-2-[3-[(E)-2-[2-methyl-4-(3-methyl-N-(3,4,5-trimethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(3-methylphenyl)aniline
CID 22899812
N-(4-methoxyphenyl)-N-phenyl-4-[(E)-2-(2,4,5-trimethylphenyl)ethenyl]aniline
CID 14766504
4-methyl-N-[4-[(E)-2-[3-methyl-4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 20734404

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline?
The IUPAC name of 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline (CID 54520687) is 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline.
What is the SMILES notation for 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline?
The canonical SMILES for 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline is Cc1cc(N(c2ccccc2)c2ccccc2)ccc1C=Cc1ccccc1.
What is the InChIKey of 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline?
The InChIKey is YPOWNLBQPPKWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N/c1-22-21-27(20-19-24(22)18-17-23-11-5-2-6-12-23)28(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-21H,1H3.
What are the key properties of 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline?
3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline has a molecular weight of 361.49 g/mol, XLogP of 7.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N-diphenyl-4-(2-phenylethenyl)aniline is sourced from PubChem (CID 54520687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).