4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine

C23H17BrClN — CID 144989327

IUPAC4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine
SMILESClC1=CCC(c2cc(-c3cccc(Br)c3)cc(-c3ccccc3)n2)C=C1
InChIInChI=1S/C23H17BrClN/c24-20-8-4-7-18(13-20)19-14-22(16-5-2-1-3-6-16)26-23(15-19)17-9-11-21(25)12-10-17/h1-9,11-15,17H,10H2
InChIKeyLQHNECZWNNJVAL-UHFFFAOYSA-N
MW422.75 g/mol
LogP7.34
Rot. Bonds3

About 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine

4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine (PubChem CID 144989327) has the molecular formula C23H17BrClN and a molecular weight of 422.75 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine
PubChem CID144989327
Molecular FormulaC23H17BrClN
Molecular Weight422.75 g/mol
Exact Mass421.02
IUPAC Name4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine
SMILESClC1=CCC(c2cc(-c3cccc(Br)c3)cc(-c3ccccc3)n2)C=C1
InChIInChI=1S/C23H17BrClN/c24-20-8-4-7-18(13-20)19-14-22(16-5-2-1-3-6-16)26-23(15-19)17-9-11-21(25)12-10-17/h1-9,11-15,17H,10H2
InChIKeyLQHNECZWNNJVAL-UHFFFAOYSA-N
XLogP7.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.75
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4-[4-[4-(3-bromophenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 155757935
2,6-diphenyl-4-[3-(3-phenylphenyl)phenyl]pyridine
CID 58943255
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623
CID 143267285
CID 143267285
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
2-[3-(3,5-diphenylphenyl)-5-(4,6-diphenyl-2-pyridinyl)phenyl]-4,6-diphenylpyridine
CID 154599724
4-[3-[4-(3-bromophenyl)phenyl]phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 155758012
1-bromo-3-phenylbenzene
CID 16449
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine?
The IUPAC name of 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine (CID 144989327) is 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine.
What is the SMILES notation for 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine?
The canonical SMILES for 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine is ClC1=CCC(c2cc(-c3cccc(Br)c3)cc(-c3ccccc3)n2)C=C1.
What is the InChIKey of 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine?
The InChIKey is LQHNECZWNNJVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrClN/c24-20-8-4-7-18(13-20)19-14-22(16-5-2-1-3-6-16)26-23(15-19)17-9-11-21(25)12-10-17/h1-9,11-15,17H,10H2.
What are the key properties of 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine?
4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine has a molecular weight of 422.75 g/mol, XLogP of 7.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(4-chlorocyclohexa-2,4-dien-1-yl)-6-phenylpyridine is sourced from PubChem (CID 144989327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).