1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene

C18H9Cl5 — CID 129318156

IUPAC1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
SMILESClc1cc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H9Cl5/c19-14-6-12(10-1-3-15(20)17(22)8-10)5-13(7-14)11-2-4-16(21)18(23)9-11/h1-9H
InChIKeyYKJDVCJQOMIIDC-UHFFFAOYSA-N
MW402.54 g/mol
LogP8.29
Rot. Bonds2

About 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene

1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene (PubChem CID 129318156) has the molecular formula C18H9Cl5 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
PubChem CID129318156
Molecular FormulaC18H9Cl5
Molecular Weight402.54 g/mol
Exact Mass399.91
IUPAC Name1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene
SMILESClc1cc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C18H9Cl5/c19-14-6-12(10-1-3-15(20)17(22)8-10)5-13(7-14)11-2-4-16(21)18(23)9-11/h1-9H
InChIKeyYKJDVCJQOMIIDC-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene?
The IUPAC name of 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene (CID 129318156) is 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene.
What is the SMILES notation for 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene?
The canonical SMILES for 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene is Clc1cc(-c2ccc(Cl)c(Cl)c2)cc(-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene?
The InChIKey is YKJDVCJQOMIIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl5/c19-14-6-12(10-1-3-15(20)17(22)8-10)5-13(7-14)11-2-4-16(21)18(23)9-11/h1-9H.
What are the key properties of 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene?
1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene has a molecular weight of 402.54 g/mol, XLogP of 8.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-[3-chloro-5-(3,4-dichlorophenyl)phenyl]benzene is sourced from PubChem (CID 129318156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).