7-diphenylphosphanylheptanenitrile

C19H22NP — CID 71353299

IUPAC7-diphenylphosphanylheptanenitrile
SMILESN#CCCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NP/c20-16-10-2-1-3-11-17-21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,17H2
InChIKeyYQJYICMLXIPBTJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.59
Rot. Bonds8

About 7-diphenylphosphanylheptanenitrile

7-diphenylphosphanylheptanenitrile (PubChem CID 71353299) has the molecular formula C19H22NP and a molecular weight of 295.37 g/mol. Its IUPAC name is 7-diphenylphosphanylheptanenitrile.

Molecular Properties

Compound Name7-diphenylphosphanylheptanenitrile
PubChem CID71353299
Molecular FormulaC19H22NP
Molecular Weight295.37 g/mol
Exact Mass295.15
IUPAC Name7-diphenylphosphanylheptanenitrile
SMILESN#CCCCCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NP/c20-16-10-2-1-3-11-17-21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,17H2
InChIKeyYQJYICMLXIPBTJ-UHFFFAOYSA-N
XLogP4.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-diphenylphosphanylheptanenitrile?
The IUPAC name of 7-diphenylphosphanylheptanenitrile (CID 71353299) is 7-diphenylphosphanylheptanenitrile.
What is the SMILES notation for 7-diphenylphosphanylheptanenitrile?
The canonical SMILES for 7-diphenylphosphanylheptanenitrile is N#CCCCCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-diphenylphosphanylheptanenitrile?
The InChIKey is YQJYICMLXIPBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22NP/c20-16-10-2-1-3-11-17-21(18-12-6-4-7-13-18)19-14-8-5-9-15-19/h4-9,12-15H,1-3,10-11,17H2.
What are the key properties of 7-diphenylphosphanylheptanenitrile?
7-diphenylphosphanylheptanenitrile has a molecular weight of 295.37 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-diphenylphosphanylheptanenitrile is sourced from PubChem (CID 71353299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).