3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline

C24H24N2 — CID 159787033

IUPAC3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline
SMILES[H]/N=C/C=C\N(C)c1cccc(-c2c(C)cc(-c3ccccc3)cc2C)c1
InChIInChI=1S/C24H24N2/c1-18-15-22(20-9-5-4-6-10-20)16-19(2)24(18)21-11-7-12-23(17-21)26(3)14-8-13-25/h4-17,25H,1-3H3/b14-8-,25-13+
InChIKeyZIVGROCTMVGYKD-PIAJMSBMSA-N
MW340.47 g/mol
LogP6.24
Rot. Bonds5

About 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline

3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline (PubChem CID 159787033) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline.

Molecular Properties

Compound Name3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline
PubChem CID159787033
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline
SMILES[H]/N=C/C=C\N(C)c1cccc(-c2c(C)cc(-c3ccccc3)cc2C)c1
InChIInChI=1S/C24H24N2/c1-18-15-22(20-9-5-4-6-10-20)16-19(2)24(18)21-11-7-12-23(17-21)26(3)14-8-13-25/h4-17,25H,1-3H3/b14-8-,25-13+
InChIKeyZIVGROCTMVGYKD-PIAJMSBMSA-N
XLogP6.24
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-iminoprop-1-enyl]-N,3-dimethylaniline
CID 118297015
5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
CID 123394751
4-[4-[4-(2,6-dimethyl-4-phenylphenyl)phenyl]-3,5-dimethylphenyl]benzenethiol
CID 143197342
N-[(1Z)-buta-1,3-dienyl]-N,3-dimethylaniline
CID 172568637
1-N,1-N,3-N,3-N-tetramethyl-5-phenylbenzene-1,3-diamine
CID 102138083
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
N-[3-[10-[3-[10-(3-methylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N,3-diphenylaniline
CID 143566974
2-[(Z)-4-iminobut-2-enyl]-3-methyl-6-phenylphenol
CID 145381190
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
3-phenyl-N-[3-[3-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 126731391
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline?
The IUPAC name of 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline (CID 159787033) is 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline.
What is the SMILES notation for 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline?
The canonical SMILES for 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline is [H]/N=C/C=C\N(C)c1cccc(-c2c(C)cc(-c3ccccc3)cc2C)c1.
What is the InChIKey of 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline?
The InChIKey is ZIVGROCTMVGYKD-PIAJMSBMSA-N. The full InChI is InChI=1S/C24H24N2/c1-18-15-22(20-9-5-4-6-10-20)16-19(2)24(18)21-11-7-12-23(17-21)26(3)14-8-13-25/h4-17,25H,1-3H3/b14-8-,25-13+.
What are the key properties of 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline?
3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline has a molecular weight of 340.47 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-4-phenylphenyl)-N-[(Z)-3-iminoprop-1-enyl]-N-methylaniline is sourced from PubChem (CID 159787033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).