N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline

C30H27N — CID 155621570

IUPACN-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
SMILESCc1ccc(C=Cc2ccc(C=Cc3ccc(N(C)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H27N/c1-24-8-10-25(11-9-24)12-13-26-14-16-27(17-15-26)18-19-28-20-22-30(23-21-28)31(2)29-6-4-3-5-7-29/h3-23H,1-2H3
InChIKeyIBTJETOZCMUMAZ-UHFFFAOYSA-N
MW401.55 g/mol
LogP8.10
Rot. Bonds6

About N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline

N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline (PubChem CID 155621570) has the molecular formula C30H27N and a molecular weight of 401.55 g/mol. Its IUPAC name is N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
PubChem CID155621570
Molecular FormulaC30H27N
Molecular Weight401.55 g/mol
Exact Mass401.21
IUPAC NameN-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline
SMILESCc1ccc(C=Cc2ccc(C=Cc3ccc(N(C)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H27N/c1-24-8-10-25(11-9-24)12-13-26-14-16-27(17-15-26)18-19-28-20-22-30(23-21-28)31(2)29-6-4-3-5-7-29/h3-23H,1-2H3
InChIKeyIBTJETOZCMUMAZ-UHFFFAOYSA-N
XLogP8.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 58.10
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

N-methyl-4-[2-(4-methylphenyl)ethenyl]-N-[4-[2-(4-methylphenyl)ethenyl]phenyl]aniline
CID 72543320
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824
1-N-methyl-4-N-[4-(N-(4-methylphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 58038448
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
4-methyl-N-(4-methylphenyl)-N-[4-[2-[2-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]aniline
CID 59920498
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805
methane;1-methyl-4-[(E)-2-phenylethenyl]benzene
CID 144677664
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline?
The IUPAC name of N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline (CID 155621570) is N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline.
What is the SMILES notation for N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline?
The canonical SMILES for N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline is Cc1ccc(C=Cc2ccc(C=Cc3ccc(N(C)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline?
The InChIKey is IBTJETOZCMUMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N/c1-24-8-10-25(11-9-24)12-13-26-14-16-27(17-15-26)18-19-28-20-22-30(23-21-28)31(2)29-6-4-3-5-7-29/h3-23H,1-2H3.
What are the key properties of N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline?
N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline has a molecular weight of 401.55 g/mol, XLogP of 8.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[4-[2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-N-phenylaniline is sourced from PubChem (CID 155621570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).