hexadecyl(trityl)phosphane

C35H49P — CID 175018663

IUPAChexadecyl(trityl)phosphane
SMILESCCCCCCCCCCCCCCCCPC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H49P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-36-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34/h15-23,25-30,36H,2-14,24,31H2,1H3
InChIKeyZLDNDSLKIAERRO-UHFFFAOYSA-N
MW500.75 g/mol
LogP11.14
Rot. Bonds19

About hexadecyl(trityl)phosphane

hexadecyl(trityl)phosphane (PubChem CID 175018663) has the molecular formula C35H49P and a molecular weight of 500.75 g/mol. Its IUPAC name is hexadecyl(trityl)phosphane.

Molecular Properties

Compound Namehexadecyl(trityl)phosphane
PubChem CID175018663
Molecular FormulaC35H49P
Molecular Weight500.75 g/mol
Exact Mass500.36
IUPAC Namehexadecyl(trityl)phosphane
SMILESCCCCCCCCCCCCCCCCPC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H49P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-36-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34/h15-23,25-30,36H,2-14,24,31H2,1H3
InChIKeyZLDNDSLKIAERRO-UHFFFAOYSA-N
XLogP11.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.75
LogP ≤ 511.14
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

dodecyl(2-phenylpropan-2-yl)phosphane;hydrobromide
CID 173074762
9,9-dimethoxynonyl(trityl)phosphane;hydroiodide
CID 175602769
heptadecyl(3,3,3-triphenylpropyl)phosphane
CID 69389149
tert-butylbenzene;hexane
CID 175254424
hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
15-phenylnonacosan-15-ylbenzene
CID 141310981
1,1-diphenyldodecan-1-amine
CID 19925745
5-butylhexadecan-5-ylbenzene
CID 173084700
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
hexadecyl(2-phenylpropan-2-yl)azanium dichloride
CID 54064066
2,2-diphenyloctadecanenitrile
CID 154150395

Frequently Asked Questions

What is the IUPAC name of hexadecyl(trityl)phosphane?
The IUPAC name of hexadecyl(trityl)phosphane (CID 175018663) is hexadecyl(trityl)phosphane.
What is the SMILES notation for hexadecyl(trityl)phosphane?
The canonical SMILES for hexadecyl(trityl)phosphane is CCCCCCCCCCCCCCCCPC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexadecyl(trityl)phosphane?
The InChIKey is ZLDNDSLKIAERRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H49P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-31-36-35(32-25-18-15-19-26-32,33-27-20-16-21-28-33)34-29-22-17-23-30-34/h15-23,25-30,36H,2-14,24,31H2,1H3.
What are the key properties of hexadecyl(trityl)phosphane?
hexadecyl(trityl)phosphane has a molecular weight of 500.75 g/mol, XLogP of 11.14, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(trityl)phosphane is sourced from PubChem (CID 175018663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).