1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene

C18H12BrCl — CID 151204294

IUPAC1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
SMILESClc1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C18H12BrCl/c19-17-9-5-15(6-10-17)13-1-3-14(4-2-13)16-7-11-18(20)12-8-16/h1-12H
InChIKeyNIYLFZPTXIDQPO-UHFFFAOYSA-N
MW343.65 g/mol
LogP6.44
Rot. Bonds2

About 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene

1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene (PubChem CID 151204294) has the molecular formula C18H12BrCl and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
PubChem CID151204294
Molecular FormulaC18H12BrCl
Molecular Weight343.65 g/mol
Exact Mass341.98
IUPAC Name1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
SMILESClc1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1
InChIInChI=1S/C18H12BrCl/c19-17-9-5-15(6-10-17)13-1-3-14(4-2-13)16-7-11-18(20)12-8-16/h1-12H
InChIKeyNIYLFZPTXIDQPO-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.65
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-chlorobenzene
CID 7806
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
1-bromo-3-(4-bromophenyl)-5-chlorobenzene
CID 134275306
1-bromo-3-[4-(4-chlorophenyl)phenyl]benzene
CID 71132921
1-bromo-4-[(S)-chloro-(4-chlorophenyl)methyl]benzene
CID 94201521
2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium
CID 154594136
(4-bromophenyl)-bis(4-chlorophenyl)methanol
CID 2756914
3-(4-bromophenyl)-7-chlorodibenzofuran
CID 155763681
5-(4-bromophenyl)-2-(4-chlorophenyl)-1,3-oxazole
CID 2798251
3-(4-bromophenyl)-5-(4-chlorophenyl)-1H-1,2,4-triazole
CID 141477531

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene?
The IUPAC name of 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene (CID 151204294) is 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene.
What is the SMILES notation for 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene?
The canonical SMILES for 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene is Clc1ccc(-c2ccc(-c3ccc(Br)cc3)cc2)cc1.
What is the InChIKey of 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene?
The InChIKey is NIYLFZPTXIDQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrCl/c19-17-9-5-15(6-10-17)13-1-3-14(4-2-13)16-7-11-18(20)12-8-16/h1-12H.
What are the key properties of 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene?
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene has a molecular weight of 343.65 g/mol, XLogP of 6.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene is sourced from PubChem (CID 151204294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).