1-chloro-4-(4-chlorophenyl)-2-phenylbenzene

C18H12Cl2 — CID 18410681

IUPAC1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
SMILESClc1ccc(-c2ccc(Cl)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H12Cl2/c19-16-9-6-13(7-10-16)15-8-11-18(20)17(12-15)14-4-2-1-3-5-14/h1-12H
InChIKeyZWORCVHQLYDJQU-UHFFFAOYSA-N
MW299.20 g/mol
LogP6.33
Rot. Bonds2

About 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene

1-chloro-4-(4-chlorophenyl)-2-phenylbenzene (PubChem CID 18410681) has the molecular formula C18H12Cl2 and a molecular weight of 299.20 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
PubChem CID18410681
Molecular FormulaC18H12Cl2
Molecular Weight299.20 g/mol
Exact Mass298.03
IUPAC Name1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
SMILESClc1ccc(-c2ccc(Cl)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C18H12Cl2/c19-16-9-6-13(7-10-16)15-8-11-18(20)17(12-15)14-4-2-1-3-5-14/h1-12H
InChIKeyZWORCVHQLYDJQU-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.20
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene?
The IUPAC name of 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene (CID 18410681) is 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene.
What is the SMILES notation for 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene?
The canonical SMILES for 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene is Clc1ccc(-c2ccc(Cl)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene?
The InChIKey is ZWORCVHQLYDJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2/c19-16-9-6-13(7-10-16)15-8-11-18(20)17(12-15)14-4-2-1-3-5-14/h1-12H.
What are the key properties of 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene?
1-chloro-4-(4-chlorophenyl)-2-phenylbenzene has a molecular weight of 299.20 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorophenyl)-2-phenylbenzene is sourced from PubChem (CID 18410681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).