(2,3,4,5,6-pentachlorophenyl)-diphenylsilane

C18H11Cl5Si — CID 4105895

IUPAC(2,3,4,5,6-pentachlorophenyl)-diphenylsilane
SMILESClc1c(Cl)c(Cl)c([SiH](c2ccccc2)c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C18H11Cl5Si/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,24H
InChIKeyRWTCQQKCMNWWEW-UHFFFAOYSA-N
MW432.64 g/mol
LogP5.20
Rot. Bonds3

About (2,3,4,5,6-pentachlorophenyl)-diphenylsilane

(2,3,4,5,6-pentachlorophenyl)-diphenylsilane (PubChem CID 4105895) has the molecular formula C18H11Cl5Si and a molecular weight of 432.64 g/mol. Its IUPAC name is (2,3,4,5,6-pentachlorophenyl)-diphenylsilane.

Molecular Properties

Compound Name(2,3,4,5,6-pentachlorophenyl)-diphenylsilane
PubChem CID4105895
Molecular FormulaC18H11Cl5Si
Molecular Weight432.64 g/mol
Exact Mass429.91
IUPAC Name(2,3,4,5,6-pentachlorophenyl)-diphenylsilane
SMILESClc1c(Cl)c(Cl)c([SiH](c2ccccc2)c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C18H11Cl5Si/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,24H
InChIKeyRWTCQQKCMNWWEW-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.64
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentachlorophenyl)-diphenylsilane?
The IUPAC name of (2,3,4,5,6-pentachlorophenyl)-diphenylsilane (CID 4105895) is (2,3,4,5,6-pentachlorophenyl)-diphenylsilane.
What is the SMILES notation for (2,3,4,5,6-pentachlorophenyl)-diphenylsilane?
The canonical SMILES for (2,3,4,5,6-pentachlorophenyl)-diphenylsilane is Clc1c(Cl)c(Cl)c([SiH](c2ccccc2)c2ccccc2)c(Cl)c1Cl.
What is the InChIKey of (2,3,4,5,6-pentachlorophenyl)-diphenylsilane?
The InChIKey is RWTCQQKCMNWWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl5Si/c19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,24H.
What are the key properties of (2,3,4,5,6-pentachlorophenyl)-diphenylsilane?
(2,3,4,5,6-pentachlorophenyl)-diphenylsilane has a molecular weight of 432.64 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentachlorophenyl)-diphenylsilane is sourced from PubChem (CID 4105895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).