dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate

C32H26Cl2NSSiV- — CID 23578557

IUPACdichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate
SMILESCc1cc(/C=N/c2ccccc2)c([S-])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Cl[V]Cl
InChIInChI=1S/C32H27NSSi.2ClH.V/c1-25-22-26(24-33-27-14-6-2-7-15-27)32(34)31(23-25)35(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30;;;/h2-24,34H,1H3;2*1H;/q;;;+2/p-3/b33-24+;;;
InChIKeyRQSOIMBKTZOHDS-RUQFZJNXSA-K
MW606.57 g/mol
LogP6.41
Rot. Bonds6

About dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate

dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate (PubChem CID 23578557) has the molecular formula C32H26Cl2NSSiV- and a molecular weight of 606.57 g/mol. Its IUPAC name is dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate.

Molecular Properties

Compound Namedichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate
PubChem CID23578557
Molecular FormulaC32H26Cl2NSSiV-
Molecular Weight606.57 g/mol
Exact Mass605.04
IUPAC Namedichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate
SMILESCc1cc(/C=N/c2ccccc2)c([S-])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Cl[V]Cl
InChIInChI=1S/C32H27NSSi.2ClH.V/c1-25-22-26(24-33-27-14-6-2-7-15-27)32(34)31(23-25)35(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30;;;/h2-24,34H,1H3;2*1H;/q;;;+2/p-3/b33-24+;;;
InChIKeyRQSOIMBKTZOHDS-RUQFZJNXSA-K
XLogP6.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.57
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate?
The IUPAC name of dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate (CID 23578557) is dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate.
What is the SMILES notation for dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate?
The canonical SMILES for dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate is Cc1cc(/C=N/c2ccccc2)c([S-])c([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.Cl[V]Cl.
What is the InChIKey of dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate?
The InChIKey is RQSOIMBKTZOHDS-RUQFZJNXSA-K. The full InChI is InChI=1S/C32H27NSSi.2ClH.V/c1-25-22-26(24-33-27-14-6-2-7-15-27)32(34)31(23-25)35(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30;;;/h2-24,34H,1H3;2*1H;/q;;;+2/p-3/b33-24+;;;.
What are the key properties of dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate?
dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate has a molecular weight of 606.57 g/mol, XLogP of 6.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorovanadium;4-methyl-2-(phenyliminomethyl)-6-triphenylsilylbenzenethiolate is sourced from PubChem (CID 23578557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).