1,1,2-triphenylhexadecylphosphane;hydrochloride

C34H48ClP — CID 118389380

IUPAC1,1,2-triphenylhexadecylphosphane;hydrochloride
SMILESCCCCCCCCCCCCCCC(c1ccccc1)C(P)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C34H47P.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30)34(35,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28,33H,2-12,22,29,35H2,1H3;1H
InChIKeyZQNWQBFTASLOND-UHFFFAOYSA-N
MW523.19 g/mol
LogP11.10
Rot. Bonds17

About 1,1,2-triphenylhexadecylphosphane;hydrochloride

1,1,2-triphenylhexadecylphosphane;hydrochloride (PubChem CID 118389380) has the molecular formula C34H48ClP and a molecular weight of 523.19 g/mol. Its IUPAC name is 1,1,2-triphenylhexadecylphosphane;hydrochloride.

Molecular Properties

Compound Name1,1,2-triphenylhexadecylphosphane;hydrochloride
PubChem CID118389380
Molecular FormulaC34H48ClP
Molecular Weight523.19 g/mol
Exact Mass522.32
IUPAC Name1,1,2-triphenylhexadecylphosphane;hydrochloride
SMILESCCCCCCCCCCCCCCC(c1ccccc1)C(P)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C34H47P.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30)34(35,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28,33H,2-12,22,29,35H2,1H3;1H
InChIKeyZQNWQBFTASLOND-UHFFFAOYSA-N
XLogP11.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.19
LogP ≤ 511.10
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

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CID 19027387
3-ethyl-4-phenyloctadecan-3-amine;hydrochloride
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2,2-dichloroundecan-3-ylbenzene
CID 151571814
5-phenyl-4-propylpentadecan-4-amine;hydrochloride
CID 173426858
2-hydroxy-2,3-diphenyloctadecanoic acid
CID 70385778
2-amino-2-methyl-3-phenyldodecan-1-ol
CID 174465183
1,1,2-triphenyloctoxyboronic acid
CID 70257152
2,2-dimethoxyundecan-3-ylbenzene
CID 152553562
4-[1-(4-hydroxyphenyl)-1,1-diphenyldecan-2-yl]phenol
CID 150432163

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triphenylhexadecylphosphane;hydrochloride?
The IUPAC name of 1,1,2-triphenylhexadecylphosphane;hydrochloride (CID 118389380) is 1,1,2-triphenylhexadecylphosphane;hydrochloride.
What is the SMILES notation for 1,1,2-triphenylhexadecylphosphane;hydrochloride?
The canonical SMILES for 1,1,2-triphenylhexadecylphosphane;hydrochloride is CCCCCCCCCCCCCCC(c1ccccc1)C(P)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 1,1,2-triphenylhexadecylphosphane;hydrochloride?
The InChIKey is ZQNWQBFTASLOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47P.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30)34(35,31-25-18-14-19-26-31)32-27-20-15-21-28-32;/h13-21,23-28,33H,2-12,22,29,35H2,1H3;1H.
What are the key properties of 1,1,2-triphenylhexadecylphosphane;hydrochloride?
1,1,2-triphenylhexadecylphosphane;hydrochloride has a molecular weight of 523.19 g/mol, XLogP of 11.10, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triphenylhexadecylphosphane;hydrochloride is sourced from PubChem (CID 118389380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).