1,3,5-tris(2,6-dichlorophenyl)benzene

C24H12Cl6 — CID 134437988

IUPAC1,3,5-tris(2,6-dichlorophenyl)benzene
SMILESClc1cccc(Cl)c1-c1cc(-c2c(Cl)cccc2Cl)cc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C24H12Cl6/c25-16-4-1-5-17(26)22(16)13-10-14(23-18(27)6-2-7-19(23)28)12-15(11-13)24-20(29)8-3-9-21(24)30/h1-12H
InChIKeyFPTYWXWJOQSMRH-UHFFFAOYSA-N
MW513.08 g/mol
LogP10.61
Rot. Bonds3

About 1,3,5-tris(2,6-dichlorophenyl)benzene

1,3,5-tris(2,6-dichlorophenyl)benzene (PubChem CID 134437988) has the molecular formula C24H12Cl6 and a molecular weight of 513.08 g/mol. Its IUPAC name is 1,3,5-tris(2,6-dichlorophenyl)benzene.

Molecular Properties

Compound Name1,3,5-tris(2,6-dichlorophenyl)benzene
PubChem CID134437988
Molecular FormulaC24H12Cl6
Molecular Weight513.08 g/mol
Exact Mass509.91
IUPAC Name1,3,5-tris(2,6-dichlorophenyl)benzene
SMILESClc1cccc(Cl)c1-c1cc(-c2c(Cl)cccc2Cl)cc(-c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C24H12Cl6/c25-16-4-1-5-17(26)22(16)13-10-14(23-18(27)6-2-7-19(23)28)12-15(11-13)24-20(29)8-3-9-21(24)30/h1-12H
InChIKeyFPTYWXWJOQSMRH-UHFFFAOYSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.08
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(2,6-dichlorophenyl)benzene?
The IUPAC name of 1,3,5-tris(2,6-dichlorophenyl)benzene (CID 134437988) is 1,3,5-tris(2,6-dichlorophenyl)benzene.
What is the SMILES notation for 1,3,5-tris(2,6-dichlorophenyl)benzene?
The canonical SMILES for 1,3,5-tris(2,6-dichlorophenyl)benzene is Clc1cccc(Cl)c1-c1cc(-c2c(Cl)cccc2Cl)cc(-c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1,3,5-tris(2,6-dichlorophenyl)benzene?
The InChIKey is FPTYWXWJOQSMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12Cl6/c25-16-4-1-5-17(26)22(16)13-10-14(23-18(27)6-2-7-19(23)28)12-15(11-13)24-20(29)8-3-9-21(24)30/h1-12H.
What are the key properties of 1,3,5-tris(2,6-dichlorophenyl)benzene?
1,3,5-tris(2,6-dichlorophenyl)benzene has a molecular weight of 513.08 g/mol, XLogP of 10.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(2,6-dichlorophenyl)benzene is sourced from PubChem (CID 134437988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).