1,4-dichloro-2-(3-phenylphenyl)benzene

C18H12Cl2 — CID 86205673

IUPAC1,4-dichloro-2-(3-phenylphenyl)benzene
SMILESClc1ccc(Cl)c(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C18H12Cl2/c19-16-9-10-18(20)17(12-16)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H
InChIKeyOKCBUQXNXGBLGR-UHFFFAOYSA-N
MW299.20 g/mol
LogP6.33
Rot. Bonds2

About 1,4-dichloro-2-(3-phenylphenyl)benzene

1,4-dichloro-2-(3-phenylphenyl)benzene (PubChem CID 86205673) has the molecular formula C18H12Cl2 and a molecular weight of 299.20 g/mol. Its IUPAC name is 1,4-dichloro-2-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1,4-dichloro-2-(3-phenylphenyl)benzene
PubChem CID86205673
Molecular FormulaC18H12Cl2
Molecular Weight299.20 g/mol
Exact Mass298.03
IUPAC Name1,4-dichloro-2-(3-phenylphenyl)benzene
SMILESClc1ccc(Cl)c(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C18H12Cl2/c19-16-9-10-18(20)17(12-16)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H
InChIKeyOKCBUQXNXGBLGR-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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Related Compounds

1-chloro-4-(4-chlorophenyl)-2-phenylbenzene
CID 18410681
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
1-[3-(2,5-dichlorophenyl)phenyl]ethanone
CID 39232724
2-[3-[4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177250533
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
2-bromo-1-chloro-4-(3-phenylphenyl)benzene
CID 178064983
1-(3-bromophenyl)-4-chloro-2-phenylbenzene
CID 166487710
2-(2,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 95911059

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-(3-phenylphenyl)benzene?
The IUPAC name of 1,4-dichloro-2-(3-phenylphenyl)benzene (CID 86205673) is 1,4-dichloro-2-(3-phenylphenyl)benzene.
What is the SMILES notation for 1,4-dichloro-2-(3-phenylphenyl)benzene?
The canonical SMILES for 1,4-dichloro-2-(3-phenylphenyl)benzene is Clc1ccc(Cl)c(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 1,4-dichloro-2-(3-phenylphenyl)benzene?
The InChIKey is OKCBUQXNXGBLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2/c19-16-9-10-18(20)17(12-16)15-8-4-7-14(11-15)13-5-2-1-3-6-13/h1-12H.
What are the key properties of 1,4-dichloro-2-(3-phenylphenyl)benzene?
1,4-dichloro-2-(3-phenylphenyl)benzene 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 1,4-dichloro-2-(3-phenylphenyl)benzene is sourced from PubChem (CID 86205673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).