2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline

C28H27N — CID 70820528

IUPAC2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline
SMILESCc1ccc(C(=CC2=CCC(Nc3ccccc3C)C=C2)c2ccccc2)cc1
InChIInChI=1S/C28H27N/c1-21-12-16-25(17-13-21)27(24-9-4-3-5-10-24)20-23-14-18-26(19-15-23)29-28-11-7-6-8-22(28)2/h3-18,20,26,29H,19H2,1-2H3
InChIKeyYEIOYNDXPRDYQT-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.10
Rot. Bonds5

About 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline

2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline (PubChem CID 70820528) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline.

Molecular Properties

Compound Name2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline
PubChem CID70820528
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline
SMILESCc1ccc(C(=CC2=CCC(Nc3ccccc3C)C=C2)c2ccccc2)cc1
InChIInChI=1S/C28H27N/c1-21-12-16-25(17-13-21)27(24-9-4-3-5-10-24)20-23-14-18-26(19-15-23)29-28-11-7-6-8-22(28)2/h3-18,20,26,29H,19H2,1-2H3
InChIKeyYEIOYNDXPRDYQT-UHFFFAOYSA-N
XLogP7.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-[4-[2-[3-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]ethenyl]cyclohexa-2,4-dien-1-yl]aniline
CID 91147351
N-[4-(4,4-diphenylbuta-1,3-dienyl)cyclohexa-2,4-dien-1-yl]aniline
CID 91049526
ethane;1-methyl-4-[(Z)-2-(4-methylcyclohexa-1,5-dien-1-yl)-1-(4-propan-2-ylphenyl)ethenyl]benzene
CID 143084783
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-methylphenyl)-1-phenylethenyl]phenyl]aniline
CID 58841601
N-[4-[2-(3,4-dimethylphenyl)-2-phenylethenyl]phenyl]-4-methylaniline
CID 58665566
N-(2-methylphenyl)oxetan-3-amine
CID 63624753
1-methyl-4-[(Z)-2-(4-methylphenyl)sulfonyl-1-phenylethenyl]benzene
CID 102129637
4-(2-methylanilino)oxolan-3-ol
CID 60901507
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
tetrakis[4-[2-[4-(4-methylphenyl)phenyl]-1-phenylethenyl]phenyl]germane
CID 154407148
1,2-diphenylethenylbenzene;2-methylphenol
CID 159908422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline?
The IUPAC name of 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline (CID 70820528) is 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline.
What is the SMILES notation for 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline?
The canonical SMILES for 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline is Cc1ccc(C(=CC2=CCC(Nc3ccccc3C)C=C2)c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline?
The InChIKey is YEIOYNDXPRDYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-21-12-16-25(17-13-21)27(24-9-4-3-5-10-24)20-23-14-18-26(19-15-23)29-28-11-7-6-8-22(28)2/h3-18,20,26,29H,19H2,1-2H3.
What are the key properties of 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline?
2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline has a molecular weight of 377.53 g/mol, XLogP of 7.10, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[2-(4-methylphenyl)-2-phenylethenyl]cyclohexa-2,4-dien-1-yl]aniline is sourced from PubChem (CID 70820528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).