diphenyl(1-phenylheptan-2-yl)phosphane

C25H29P — CID 139486900

IUPACdiphenyl(1-phenylheptan-2-yl)phosphane
SMILESCCCCCC(Cc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29P/c1-2-3-7-20-25(21-22-14-8-4-9-15-22)26(23-16-10-5-11-17-23)24-18-12-6-13-19-24/h4-6,8-19,25H,2-3,7,20-21H2,1H3
InChIKeyLZGFTZFUWMGTOV-UHFFFAOYSA-N
MW360.48 g/mol
LogP6.31
Rot. Bonds9

About diphenyl(1-phenylheptan-2-yl)phosphane

diphenyl(1-phenylheptan-2-yl)phosphane (PubChem CID 139486900) has the molecular formula C25H29P and a molecular weight of 360.48 g/mol. Its IUPAC name is diphenyl(1-phenylheptan-2-yl)phosphane.

Molecular Properties

Compound Namediphenyl(1-phenylheptan-2-yl)phosphane
PubChem CID139486900
Molecular FormulaC25H29P
Molecular Weight360.48 g/mol
Exact Mass360.20
IUPAC Namediphenyl(1-phenylheptan-2-yl)phosphane
SMILESCCCCCC(Cc1ccccc1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H29P/c1-2-3-7-20-25(21-22-14-8-4-9-15-22)26(23-16-10-5-11-17-23)24-18-12-6-13-19-24/h4-6,8-19,25H,2-3,7,20-21H2,1H3
InChIKeyLZGFTZFUWMGTOV-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphanylicosan-2-yl(diphenyl)phosphane
CID 20520959
octan-2-yl(diphenyl)phosphane
CID 18359504
2-benzyltetradecylbenzene
CID 22920205
ethane;2-methylheptylbenzene
CID 142204161
methyl-phenyl-(1-phenylbutan-2-yl)phosphane;hydrobromide
CID 173436254
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
2-bromotridecylbenzene
CID 65427778
1-phenylundecan-2-ylbenzene
CID 22919994
1-phenyltridecan-2-ylbenzene
CID 22919631
2-diphenylphosphanylundecanoic acid
CID 140969530
2-methoxyoctylbenzene
CID 102054372

Frequently Asked Questions

What is the IUPAC name of diphenyl(1-phenylheptan-2-yl)phosphane?
The IUPAC name of diphenyl(1-phenylheptan-2-yl)phosphane (CID 139486900) is diphenyl(1-phenylheptan-2-yl)phosphane.
What is the SMILES notation for diphenyl(1-phenylheptan-2-yl)phosphane?
The canonical SMILES for diphenyl(1-phenylheptan-2-yl)phosphane is CCCCCC(Cc1ccccc1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenyl(1-phenylheptan-2-yl)phosphane?
The InChIKey is LZGFTZFUWMGTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29P/c1-2-3-7-20-25(21-22-14-8-4-9-15-22)26(23-16-10-5-11-17-23)24-18-12-6-13-19-24/h4-6,8-19,25H,2-3,7,20-21H2,1H3.
What are the key properties of diphenyl(1-phenylheptan-2-yl)phosphane?
diphenyl(1-phenylheptan-2-yl)phosphane has a molecular weight of 360.48 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(1-phenylheptan-2-yl)phosphane is sourced from PubChem (CID 139486900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).