5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile

C20H18N2 — CID 91606925

IUPAC5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)n1CCCc1ccccc1
InChIInChI=1S/C20H18N2/c21-16-19-13-14-20(18-11-5-2-6-12-18)22(19)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14H,7,10,15H2
InChIKeyJTLFRGMABQNTSY-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.66
Rot. Bonds5

About 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile

5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile (PubChem CID 91606925) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile
PubChem CID91606925
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2)n1CCCc1ccccc1
InChIInChI=1S/C20H18N2/c21-16-19-13-14-20(18-11-5-2-6-12-18)22(19)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14H,7,10,15H2
InChIKeyJTLFRGMABQNTSY-UHFFFAOYSA-N
XLogP4.66
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-methyl-1-(2-phenylethyl)pyrrol-2-yl]benzonitrile
CID 16752819
5-(2-phenylethyl)-1-prop-2-enylpyrrole-2-carbonitrile
CID 100793428
3,6-bis(3-phenylpropyl)benzene-1,2-dicarbonitrile
CID 14708503
5-benzyl-1-prop-2-enylpyrrole-2-carbonitrile
CID 100793307
4-phenylbutylbenzene
CID 141301927
4-(8-phenyloctyl)benzonitrile
CID 21257462
4-[4-(5-phenylpentyl)phenyl]benzonitrile
CID 101022686
2-(2,5-diphenylpyrrol-1-yl)ethanol
CID 125482287
CID 159131095
CID 159131095
hafnium;4-phenylbutylbenzene
CID 175889972
1,4-bis(3-phenylpropyl)benzene
CID 59467322
methane;4-phenylbutylbenzene
CID 173386802

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile?
The IUPAC name of 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile (CID 91606925) is 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile.
What is the SMILES notation for 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile?
The canonical SMILES for 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile is N#Cc1ccc(-c2ccccc2)n1CCCc1ccccc1.
What is the InChIKey of 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile?
The InChIKey is JTLFRGMABQNTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c21-16-19-13-14-20(18-11-5-2-6-12-18)22(19)15-7-10-17-8-3-1-4-9-17/h1-6,8-9,11-14H,7,10,15H2.
What are the key properties of 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile?
5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile has a molecular weight of 286.38 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(3-phenylpropyl)pyrrole-2-carbonitrile is sourced from PubChem (CID 91606925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).