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

C18H10Cl5P — CID 17186031

IUPAC(2,3,4,5,6-pentachlorophenyl)-diphenylphosphane
SMILESClc1c(Cl)c(Cl)c(P(c2ccccc2)c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C18H10Cl5P/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/h1-10H
InChIKeyKKBCSXSHMJPZHP-UHFFFAOYSA-N
MW434.52 g/mol
LogP6.71
Rot. Bonds3

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

(2,3,4,5,6-pentachlorophenyl)-diphenylphosphane (PubChem CID 17186031) has the molecular formula C18H10Cl5P and a molecular weight of 434.52 g/mol. Its IUPAC name is (2,3,4,5,6-pentachlorophenyl)-diphenylphosphane.

Molecular Properties

Compound Name(2,3,4,5,6-pentachlorophenyl)-diphenylphosphane
PubChem CID17186031
Molecular FormulaC18H10Cl5P
Molecular Weight434.52 g/mol
Exact Mass431.90
IUPAC Name(2,3,4,5,6-pentachlorophenyl)-diphenylphosphane
SMILESClc1c(Cl)c(Cl)c(P(c2ccccc2)c2ccccc2)c(Cl)c1Cl
InChIInChI=1S/C18H10Cl5P/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/h1-10H
InChIKeyKKBCSXSHMJPZHP-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 56.71
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': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentachlorophenyl)-diphenylphosphane?
The IUPAC name of (2,3,4,5,6-pentachlorophenyl)-diphenylphosphane (CID 17186031) is (2,3,4,5,6-pentachlorophenyl)-diphenylphosphane.
What is the SMILES notation for (2,3,4,5,6-pentachlorophenyl)-diphenylphosphane?
The canonical SMILES for (2,3,4,5,6-pentachlorophenyl)-diphenylphosphane is Clc1c(Cl)c(Cl)c(P(c2ccccc2)c2ccccc2)c(Cl)c1Cl.
What is the InChIKey of (2,3,4,5,6-pentachlorophenyl)-diphenylphosphane?
The InChIKey is KKBCSXSHMJPZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl5P/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/h1-10H.
What are the key properties of (2,3,4,5,6-pentachlorophenyl)-diphenylphosphane?
(2,3,4,5,6-pentachlorophenyl)-diphenylphosphane has a molecular weight of 434.52 g/mol, XLogP of 6.71, 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)-diphenylphosphane is sourced from PubChem (CID 17186031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).