dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane

C31H39AsCl2 — CID 156786949

IUPACdichloro-(10,10-dibenzyl-11-phenylundecyl)arsane
SMILESCl[As](Cl)CCCCCCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H39AsCl2/c33-32(34)24-16-5-3-1-2-4-15-23-31(25-28-17-9-6-10-18-28,26-29-19-11-7-12-20-29)27-30-21-13-8-14-22-30/h6-14,17-22H,1-5,15-16,23-27H2
InChIKeyGHPRPRYSWPBJMJ-UHFFFAOYSA-N
MW557.48 g/mol
LogP9.79
Rot. Bonds16

About dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane

dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane (PubChem CID 156786949) has the molecular formula C31H39AsCl2 and a molecular weight of 557.48 g/mol. Its IUPAC name is dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane.

Molecular Properties

Compound Namedichloro-(10,10-dibenzyl-11-phenylundecyl)arsane
PubChem CID156786949
Molecular FormulaC31H39AsCl2
Molecular Weight557.48 g/mol
Exact Mass556.16
IUPAC Namedichloro-(10,10-dibenzyl-11-phenylundecyl)arsane
SMILESCl[As](Cl)CCCCCCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H39AsCl2/c33-32(34)24-16-5-3-1-2-4-15-23-31(25-28-17-9-6-10-18-28,26-29-19-11-7-12-20-29)27-30-21-13-8-14-22-30/h6-14,17-22H,1-5,15-16,23-27H2
InChIKeyGHPRPRYSWPBJMJ-UHFFFAOYSA-N
XLogP9.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.48
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,2-diethylundecylbenzene
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(2,2-dibenzyl-3-phenylpropyl)phosphane;hydrochloride
CID 173073292
[4-chloro-2-(2-chloroethyl)-2-(chloromethyl)butyl]benzene
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8-benzylpentadecan-8-ol
CID 13016086
(3,3-dibenzyl-4-phenylbutyl)-iodophosphane
CID 140527626
3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan
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2,2-bis(chloromethyl)pentylbenzene
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CID 141137071

Frequently Asked Questions

What is the IUPAC name of dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane?
The IUPAC name of dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane (CID 156786949) is dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane.
What is the SMILES notation for dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane?
The canonical SMILES for dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane is Cl[As](Cl)CCCCCCCCCC(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane?
The InChIKey is GHPRPRYSWPBJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39AsCl2/c33-32(34)24-16-5-3-1-2-4-15-23-31(25-28-17-9-6-10-18-28,26-29-19-11-7-12-20-29)27-30-21-13-8-14-22-30/h6-14,17-22H,1-5,15-16,23-27H2.
What are the key properties of dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane?
dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane has a molecular weight of 557.48 g/mol, XLogP of 9.79, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(10,10-dibenzyl-11-phenylundecyl)arsane is sourced from PubChem (CID 156786949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).