4-dicyclohexylphosphanylbenzonitrile

C19H26NP — CID 101195782

IUPAC4-dicyclohexylphosphanylbenzonitrile
SMILESN#Cc1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C19H26NP/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10H2
InChIKeyNEGVQKRTWDVCQW-UHFFFAOYSA-N
MW299.40 g/mol
LogP5.33
Rot. Bonds3

About 4-dicyclohexylphosphanylbenzonitrile

4-dicyclohexylphosphanylbenzonitrile (PubChem CID 101195782) has the molecular formula C19H26NP and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-dicyclohexylphosphanylbenzonitrile.

Molecular Properties

Compound Name4-dicyclohexylphosphanylbenzonitrile
PubChem CID101195782
Molecular FormulaC19H26NP
Molecular Weight299.40 g/mol
Exact Mass299.18
IUPAC Name4-dicyclohexylphosphanylbenzonitrile
SMILESN#Cc1ccc(P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C19H26NP/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10H2
InChIKeyNEGVQKRTWDVCQW-UHFFFAOYSA-N
XLogP5.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.40
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dicyclohexylphosphanylbenzonitrile?
The IUPAC name of 4-dicyclohexylphosphanylbenzonitrile (CID 101195782) is 4-dicyclohexylphosphanylbenzonitrile.
What is the SMILES notation for 4-dicyclohexylphosphanylbenzonitrile?
The canonical SMILES for 4-dicyclohexylphosphanylbenzonitrile is N#Cc1ccc(P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 4-dicyclohexylphosphanylbenzonitrile?
The InChIKey is NEGVQKRTWDVCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NP/c20-15-16-11-13-19(14-12-16)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h11-14,17-18H,1-10H2.
What are the key properties of 4-dicyclohexylphosphanylbenzonitrile?
4-dicyclohexylphosphanylbenzonitrile has a molecular weight of 299.40 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dicyclohexylphosphanylbenzonitrile is sourced from PubChem (CID 101195782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).