(E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile

C18H17N — CID 146167998

IUPAC(E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile
SMILESCC(C)(C#N)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17N/c1-18(2,14-19)13-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,1-2H3/b13-12+
InChIKeyJGYIASZBDPKXEX-OUKQBFOZSA-N
MW247.34 g/mol
LogP4.92
Rot. Bonds3

About (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile

(E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile (PubChem CID 146167998) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile.

Molecular Properties

Compound Name(E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile
PubChem CID146167998
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name(E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile
SMILESCC(C)(C#N)/C=C/c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17N/c1-18(2,14-19)13-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,1-2H3/b13-12+
InChIKeyJGYIASZBDPKXEX-OUKQBFOZSA-N
XLogP4.92
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenyl-4-[(1Z,3E)-4-(4-phenylphenyl)buta-1,3-dienyl]benzene
CID 54609084
2-amino-2-(4-phenylphenyl)propanenitrile
CID 16783156
ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate
CID 163210308
bis(acetonitrile);1,1'-biphenyl
CID 175366291
4,4-dimethyl-3-oxo-2-[(4-phenylphenyl)methylidene]pentanenitrile
CID 4797225
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 100913685
1-[(1E,3E,5E)-hepta-1,3,5-trienyl]-4-phenylbenzene
CID 175734121
1,1'-biphenyl;ethane;prop-1-ene
CID 156726173
N-tert-butyl-4-(4-phenylphenyl)but-3-en-1-amine
CID 79592735
2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis(4-tert-butylphenyl)-6-(4-ethenylphenyl)-1,3,5-triazine;2-(4-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158510464
1-[(1E)-buta-1,3-dienyl]-4-(4-phenoxyphenyl)benzene
CID 141094206

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile?
The IUPAC name of (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile (CID 146167998) is (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile.
What is the SMILES notation for (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile?
The canonical SMILES for (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile is CC(C)(C#N)/C=C/c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile?
The InChIKey is JGYIASZBDPKXEX-OUKQBFOZSA-N. The full InChI is InChI=1S/C18H17N/c1-18(2,14-19)13-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-13H,1-2H3/b13-12+.
What are the key properties of (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile?
(E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile has a molecular weight of 247.34 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethyl-4-(4-phenylphenyl)but-3-enenitrile is sourced from PubChem (CID 146167998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).