N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline

C31H31N — CID 58665589

IUPACN-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(C=C(c3ccccc3)c3ccc(C)c(C)c3)cc2)c(C)c1
InChIInChI=1S/C31H31N/c1-21-17-24(4)31(25(5)18-21)32-29-15-12-26(13-16-29)20-30(27-9-7-6-8-10-27)28-14-11-22(2)23(3)19-28/h6-20,32H,1-5H3
InChIKeyZZXBRKZFMPKWCN-UHFFFAOYSA-N
MW417.60 g/mol
LogP8.56
Rot. Bonds5

About N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline

N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline (PubChem CID 58665589) has the molecular formula C31H31N and a molecular weight of 417.60 g/mol. Its IUPAC name is N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline.

Molecular Properties

Compound NameN-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline
PubChem CID58665589
Molecular FormulaC31H31N
Molecular Weight417.60 g/mol
Exact Mass417.25
IUPAC NameN-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline
SMILESCc1cc(C)c(Nc2ccc(C=C(c3ccccc3)c3ccc(C)c(C)c3)cc2)c(C)c1
InChIInChI=1S/C31H31N/c1-21-17-24(4)31(25(5)18-21)32-29-15-12-26(13-16-29)20-30(27-9-7-6-8-10-27)28-14-11-22(2)23(3)19-28/h6-20,32H,1-5H3
InChIKeyZZXBRKZFMPKWCN-UHFFFAOYSA-N
XLogP8.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.60
LogP ≤ 58.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-4-methylaniline
CID 58665566
4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 58665582
N-[4-[(E)-2-(2,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4-dimethylaniline
CID 20813136
N-[3-[4-[2-(3,4-dimethylphenyl)-2-(4-methylphenyl)ethenyl]phenyl]pentan-3-yl]aniline
CID 122484933
N,N-bis[4-(2,2-diphenylethenyl)phenyl]-2,4,6-trimethylaniline
CID 71344437
2-[(E)-1,2-diphenylethenyl]-1,3,5-trimethylbenzene
CID 12611498
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
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
1,4-bis[(E)-2-[4-(2,2-diphenylethenyl)phenyl]ethenyl]-2,5-dimethylbenzene
CID 20678111
4-(2,2-diphenylethenyl)-1-[4-(2,2-diphenylethenyl)-2-methylphenyl]-2-methylbenzene
CID 20758340
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline?
The IUPAC name of N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline (CID 58665589) is N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline.
What is the SMILES notation for N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline?
The canonical SMILES for N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline is Cc1cc(C)c(Nc2ccc(C=C(c3ccccc3)c3ccc(C)c(C)c3)cc2)c(C)c1.
What is the InChIKey of N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline?
The InChIKey is ZZXBRKZFMPKWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N/c1-21-17-24(4)31(25(5)18-21)32-29-15-12-26(13-16-29)20-30(27-9-7-6-8-10-27)28-14-11-22(2)23(3)19-28/h6-20,32H,1-5H3.
What are the key properties of N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline?
N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline has a molecular weight of 417.60 g/mol, XLogP of 8.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-2,4,6-trimethylaniline is sourced from PubChem (CID 58665589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).