heptadecyl(3,3,3-triphenylpropyl)phosphane

C38H55P — CID 69389149

IUPACheptadecyl(3,3,3-triphenylpropyl)phosphane
SMILESCCCCCCCCCCCCCCCCCPCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-33-39-34-32-38(35-26-19-16-20-27-35,36-28-21-17-22-29-36)37-30-23-18-24-31-37/h16-24,26-31,39H,2-15,25,32-34H2,1H3
InChIKeyGBBNTFOUELKTOR-UHFFFAOYSA-N
MW542.83 g/mol
LogP11.96
Rot. Bonds22

About heptadecyl(3,3,3-triphenylpropyl)phosphane

heptadecyl(3,3,3-triphenylpropyl)phosphane (PubChem CID 69389149) has the molecular formula C38H55P and a molecular weight of 542.83 g/mol. Its IUPAC name is heptadecyl(3,3,3-triphenylpropyl)phosphane.

Molecular Properties

Compound Nameheptadecyl(3,3,3-triphenylpropyl)phosphane
PubChem CID69389149
Molecular FormulaC38H55P
Molecular Weight542.83 g/mol
Exact Mass542.40
IUPAC Nameheptadecyl(3,3,3-triphenylpropyl)phosphane
SMILESCCCCCCCCCCCCCCCCCPCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-33-39-34-32-38(35-26-19-16-20-27-35,36-28-21-17-22-29-36)37-30-23-18-24-31-37/h16-24,26-31,39H,2-15,25,32-34H2,1H3
InChIKeyGBBNTFOUELKTOR-UHFFFAOYSA-N
XLogP11.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.83
LogP ≤ 511.96
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

decyl(2-phenylethyl)phosphane
CID 69425804
hexadecyl(trityl)phosphane
CID 175018663
benzyl(pentadecyl)phosphane
CID 174798233
N-(3,3,3-triphenylpropyl)hexan-1-amine
CID 69396005
dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide
CID 173074762
15-phenylnonacosan-15-ylbenzene
CID 141310981
di(nonadecyl)phosphane
CID 87828565
dodecyl(octyl)phosphane
CID 87829037
tributyl(4,4,4-triphenylbutyl)azanium
CID 118467118
benzyl(pentadecyl)phosphane;hydrobromide
CID 174798232
bromo(9,9,9-triphenylnonyl)phosphane
CID 139644220
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584

Frequently Asked Questions

What is the IUPAC name of heptadecyl(3,3,3-triphenylpropyl)phosphane?
The IUPAC name of heptadecyl(3,3,3-triphenylpropyl)phosphane (CID 69389149) is heptadecyl(3,3,3-triphenylpropyl)phosphane.
What is the SMILES notation for heptadecyl(3,3,3-triphenylpropyl)phosphane?
The canonical SMILES for heptadecyl(3,3,3-triphenylpropyl)phosphane is CCCCCCCCCCCCCCCCCPCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of heptadecyl(3,3,3-triphenylpropyl)phosphane?
The InChIKey is GBBNTFOUELKTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-33-39-34-32-38(35-26-19-16-20-27-35,36-28-21-17-22-29-36)37-30-23-18-24-31-37/h16-24,26-31,39H,2-15,25,32-34H2,1H3.
What are the key properties of heptadecyl(3,3,3-triphenylpropyl)phosphane?
heptadecyl(3,3,3-triphenylpropyl)phosphane has a molecular weight of 542.83 g/mol, XLogP of 11.96, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecyl(3,3,3-triphenylpropyl)phosphane is sourced from PubChem (CID 69389149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).