4-[4-(5-phenylpentyl)phenyl]benzonitrile

C24H23N — CID 101022686

IUPAC4-[4-(5-phenylpentyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CCCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N/c25-19-22-13-17-24(18-14-22)23-15-11-21(12-16-23)10-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,11-18H,2,5-6,9-10H2
InChIKeyXHKQMMSIDQBPCF-UHFFFAOYSA-N
MW325.46 g/mol
LogP6.18
Rot. Bonds7

About 4-[4-(5-phenylpentyl)phenyl]benzonitrile

4-[4-(5-phenylpentyl)phenyl]benzonitrile (PubChem CID 101022686) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-[4-(5-phenylpentyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(5-phenylpentyl)phenyl]benzonitrile
PubChem CID101022686
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name4-[4-(5-phenylpentyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CCCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H23N/c25-19-22-13-17-24(18-14-22)23-15-11-21(12-16-23)10-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,11-18H,2,5-6,9-10H2
InChIKeyXHKQMMSIDQBPCF-UHFFFAOYSA-N
XLogP6.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(8-phenyloctyl)benzonitrile
CID 21257462
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[4-(7-triethylsilylheptyl)phenyl]benzonitrile
CID 139630757
4-heptylbenzonitrile
CID 575863
4-(5-aminopentyl)benzonitrile
CID 19004238
4-(3-phenylpropylsulfonylmethyl)benzonitrile
CID 82178242
4-[4-(2-sulfanylethyl)phenyl]benzonitrile
CID 101455253
4-hex-5-enylbenzonitrile
CID 582246
4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
4-[2-(2-chloro-4-phenylphenyl)ethyl]benzonitrile
CID 56986950
4-(3-cyanopropyl)benzonitrile
CID 83927462
4-phenylbutylbenzene
CID 141301927

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-phenylpentyl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(5-phenylpentyl)phenyl]benzonitrile (CID 101022686) is 4-[4-(5-phenylpentyl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(5-phenylpentyl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(5-phenylpentyl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(CCCCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[4-(5-phenylpentyl)phenyl]benzonitrile?
The InChIKey is XHKQMMSIDQBPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N/c25-19-22-13-17-24(18-14-22)23-15-11-21(12-16-23)10-6-2-5-9-20-7-3-1-4-8-20/h1,3-4,7-8,11-18H,2,5-6,9-10H2.
What are the key properties of 4-[4-(5-phenylpentyl)phenyl]benzonitrile?
4-[4-(5-phenylpentyl)phenyl]benzonitrile has a molecular weight of 325.46 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-phenylpentyl)phenyl]benzonitrile is sourced from PubChem (CID 101022686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).