benzene;3,3-diphenylprop-2-enenitrile

C21H17N — CID 174934225

IUPACbenzene;3,3-diphenylprop-2-enenitrile
SMILESN#CC=C(c1ccccc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C15H11N.C6H6/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-2-4-6-5-3-1/h1-11H;1-6H
InChIKeyFNCPBCFXWSBCGT-UHFFFAOYSA-N
MW283.37 g/mol
LogP5.33
Rot. Bonds2

About benzene;3,3-diphenylprop-2-enenitrile

benzene;3,3-diphenylprop-2-enenitrile (PubChem CID 174934225) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is benzene;3,3-diphenylprop-2-enenitrile.

Molecular Properties

Compound Namebenzene;3,3-diphenylprop-2-enenitrile
PubChem CID174934225
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Namebenzene;3,3-diphenylprop-2-enenitrile
SMILESN#CC=C(c1ccccc1)c1ccccc1.c1ccccc1
InChIInChI=1S/C15H11N.C6H6/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-2-4-6-5-3-1/h1-11H;1-6H
InChIKeyFNCPBCFXWSBCGT-UHFFFAOYSA-N
XLogP5.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromo(trifluoro)methane;3,3-diphenylprop-2-enenitrile
CID 174367597
3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
(E)-3-phenyl-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 59499325
(E)-3-(1H-indol-5-yl)-3-phenylprop-2-enenitrile
CID 124651212
(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile
CID 13159605
lithium [(E)-2-cyano-1-phenylethenyl]azanide
CID 101430283
(Z)-3-cyano-2-phenylprop-2-enoic acid
CID 18415171
(E)-3-(1-methylimidazol-2-yl)-3-phenylprop-2-enenitrile
CID 102421833
(Z)-3-(7-chloro-1H-indol-5-yl)-3-phenylprop-2-enenitrile
CID 59831763
3-(1H-indol-4-yl)-3-phenylprop-2-enenitrile
CID 72573307
(Z)-4-methyl-3-phenylpent-2-enenitrile
CID 23262622
(E)-4-methyl-3-phenylpent-2-enenitrile
CID 13354635

Frequently Asked Questions

What is the IUPAC name of benzene;3,3-diphenylprop-2-enenitrile?
The IUPAC name of benzene;3,3-diphenylprop-2-enenitrile (CID 174934225) is benzene;3,3-diphenylprop-2-enenitrile.
What is the SMILES notation for benzene;3,3-diphenylprop-2-enenitrile?
The canonical SMILES for benzene;3,3-diphenylprop-2-enenitrile is N#CC=C(c1ccccc1)c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;3,3-diphenylprop-2-enenitrile?
The InChIKey is FNCPBCFXWSBCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N.C6H6/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-2-4-6-5-3-1/h1-11H;1-6H.
What are the key properties of benzene;3,3-diphenylprop-2-enenitrile?
benzene;3,3-diphenylprop-2-enenitrile has a molecular weight of 283.37 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3,3-diphenylprop-2-enenitrile is sourced from PubChem (CID 174934225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).