4-(4-phosphanylphenyl)benzonitrile

C13H10NP — CID 154518680

IUPAC4-(4-phosphanylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(P)cc2)cc1
InChIInChI=1S/C13H10NP/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,15H2
InChIKeyUKHDBLGKDOJIDD-UHFFFAOYSA-N
MW211.20 g/mol
LogP2.73
Rot. Bonds1

About 4-(4-phosphanylphenyl)benzonitrile

4-(4-phosphanylphenyl)benzonitrile (PubChem CID 154518680) has the molecular formula C13H10NP and a molecular weight of 211.20 g/mol. Its IUPAC name is 4-(4-phosphanylphenyl)benzonitrile.

Molecular Properties

Compound Name4-(4-phosphanylphenyl)benzonitrile
PubChem CID154518680
Molecular FormulaC13H10NP
Molecular Weight211.20 g/mol
Exact Mass211.06
IUPAC Name4-(4-phosphanylphenyl)benzonitrile
SMILESN#Cc1ccc(-c2ccc(P)cc2)cc1
InChIInChI=1S/C13H10NP/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,15H2
InChIKeyUKHDBLGKDOJIDD-UHFFFAOYSA-N
XLogP2.73
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azulene-6-carbonitrile
CID 91533837
azane;benzene-1,4-dicarbonitrile
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4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[4-[4-[4-(4-cyanophenyl)phenyl]buta-1,3-diynyl]phenyl]benzonitrile
CID 71530971
4-pyridin-4-ylbenzonitrile
CID 4184629
4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]-N-[4-[4-(4-cyanophenyl)phenyl]phenyl]anilino]phenyl]phenyl]benzonitrile
CID 122213213
4-[[4-(4-cyanophenyl)phenyl]methyl]benzonitrile
CID 71089118
4-[4-(4-tert-butylphenyl)phenyl]benzonitrile
CID 68636211
CID 139265768
CID 139265768
4-(4-isocyanophenyl)benzonitrile
CID 22899905
ethane;4-pyridin-4-ylbenzonitrile
CID 142098064
4-[3-(4-bromophenyl)-5-(4-cyanophenyl)phenyl]benzonitrile
CID 90126936

Frequently Asked Questions

What is the IUPAC name of 4-(4-phosphanylphenyl)benzonitrile?
The IUPAC name of 4-(4-phosphanylphenyl)benzonitrile (CID 154518680) is 4-(4-phosphanylphenyl)benzonitrile.
What is the SMILES notation for 4-(4-phosphanylphenyl)benzonitrile?
The canonical SMILES for 4-(4-phosphanylphenyl)benzonitrile is N#Cc1ccc(-c2ccc(P)cc2)cc1.
What is the InChIKey of 4-(4-phosphanylphenyl)benzonitrile?
The InChIKey is UKHDBLGKDOJIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10NP/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,15H2.
What are the key properties of 4-(4-phosphanylphenyl)benzonitrile?
4-(4-phosphanylphenyl)benzonitrile has a molecular weight of 211.20 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phosphanylphenyl)benzonitrile is sourced from PubChem (CID 154518680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).