2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine

C34H25BrN2OS — CID 170419820

IUPAC2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine
SMILESCOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(-c3cc(-c4ccc(Br)s4)cc(C)n3)c2)n1
InChIInChI=1S/C34H25BrN2OS/c1-22-17-27(33-15-16-34(35)39-33)21-29(36-22)24-11-8-12-25(18-24)30-19-26(23-9-4-3-5-10-23)20-31(37-30)28-13-6-7-14-32(28)38-2/h3-21H,1-2H3
InChIKeyWZNBXKNSGBUUTO-UHFFFAOYSA-N
MW589.56 g/mol
LogP9.95
Rot. Bonds6

About 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine

2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine (PubChem CID 170419820) has the molecular formula C34H25BrN2OS and a molecular weight of 589.56 g/mol. Its IUPAC name is 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine.

Molecular Properties

Compound Name2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine
PubChem CID170419820
Molecular FormulaC34H25BrN2OS
Molecular Weight589.56 g/mol
Exact Mass588.09
IUPAC Name2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine
SMILESCOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(-c3cc(-c4ccc(Br)s4)cc(C)n3)c2)n1
InChIInChI=1S/C34H25BrN2OS/c1-22-17-27(33-15-16-34(35)39-33)21-29(36-22)24-11-8-12-25(18-24)30-19-26(23-9-4-3-5-10-23)20-31(37-30)28-13-6-7-14-32(28)38-2/h3-21H,1-2H3
InChIKeyWZNBXKNSGBUUTO-UHFFFAOYSA-N
XLogP9.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.56
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[4-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]phenyl]phenyl]-4-methyl-N-phenylaniline
CID 146337191
2-[3-[4-[3,5-bis[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-methyl-4-pyridinyl]phenyl]-6-methyl-2-pyridinyl]phenyl]-4,6-diphenylpyridine;4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-2-[3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-phenylpyridine;2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4-[3-[2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 160789301
2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-6-phenyl-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
CID 157181890
2-methyl-4,6-diphenylpyridine
CID 618669
2-(4-methoxyphenyl)-6-methyl-4-phenylpyridine
CID 10333611
2-[6-[3-[4-(5-dibenzofuran-3-ylthiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-4-phenyl-2-pyridinyl]-5-phenylphenol
CID 170524451
5-[2-(2-methoxyphenyl)-6-phenyl-4-pyridinyl]-N-(4-methylphenyl)-2-(4-phenylphenyl)aniline
CID 142449372
2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
CID 167252790
2-(2-methoxyphenyl)-6-(6-phenyl-2-pyridinyl)pyridine
CID 23135803
2-[3-[4-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-6-(2-methoxyphenyl)pyridine
CID 159470077
2-(4,6-diphenyl-2-pyridinyl)-6-[3-(4-methylphenyl)phenyl]-4-phenylpyridine
CID 143267281
2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine?
The IUPAC name of 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine (CID 170419820) is 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine.
What is the SMILES notation for 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine?
The canonical SMILES for 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine is COc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(-c3cc(-c4ccc(Br)s4)cc(C)n3)c2)n1.
What is the InChIKey of 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine?
The InChIKey is WZNBXKNSGBUUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25BrN2OS/c1-22-17-27(33-15-16-34(35)39-33)21-29(36-22)24-11-8-12-25(18-24)30-19-26(23-9-4-3-5-10-23)20-31(37-30)28-13-6-7-14-32(28)38-2/h3-21H,1-2H3.
What are the key properties of 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine?
2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine has a molecular weight of 589.56 g/mol, XLogP of 9.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(5-bromothiophen-2-yl)-6-methyl-2-pyridinyl]phenyl]-6-(2-methoxyphenyl)-4-phenylpyridine is sourced from PubChem (CID 170419820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).