4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine

C34H28N4S2 — CID 139158835

IUPAC4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine
SMILESCSc1cc(-c2ccccc2)nc(-c2ccccn2)c1.CSc1cc(-c2ccccc2)nc(-c2ccccn2)c1
InChIInChI=1S/2C17H14N2S/c2*1-20-14-11-16(13-7-3-2-4-8-13)19-17(12-14)15-9-5-6-10-18-15/h2*2-12H,1H3
InChIKeyDXHNXHSLYWNLQB-UHFFFAOYSA-N
MW556.76 g/mol
LogP9.06
Rot. Bonds6

About 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine

4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine (PubChem CID 139158835) has the molecular formula C34H28N4S2 and a molecular weight of 556.76 g/mol. Its IUPAC name is 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine
PubChem CID139158835
Molecular FormulaC34H28N4S2
Molecular Weight556.76 g/mol
Exact Mass556.18
IUPAC Name4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine
SMILESCSc1cc(-c2ccccc2)nc(-c2ccccn2)c1.CSc1cc(-c2ccccc2)nc(-c2ccccn2)c1
InChIInChI=1S/2C17H14N2S/c2*1-20-14-11-16(13-7-3-2-4-8-13)19-17(12-14)15-9-5-6-10-18-15/h2*2-12H,1H3
InChIKeyDXHNXHSLYWNLQB-UHFFFAOYSA-N
XLogP9.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.76
LogP ≤ 59.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,4',4'',4'''-(Thiene-2,3,4,5-tetrayl)tetrapyridine
CID 253078
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
Ppijzxqodijztr-uhfffaoysa-
CID 10842729
8-[[6-(Quinolin-8-ylsulfanylmethyl)-2-pyridinyl]methylsulfanyl]quinoline
CID 12413753
2,6-Dipyridin-2-yl-4-thiophen-2-ylpyridine
CID 850136
1,10-Di(4-quinolylsulfanyl)decane
CID 10837686
Pyridoclax
CID 92042827
4'-Methylthio-2,2':6',2''-terpyridine
CID 385621
1,4-Di((2,2':6',2''-terpyridin)-4'-yl)benzene
CID 5103711
1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane
CID 15771932
Tris(2-phenylpyridine)iridium
CID 45358635

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine?
The IUPAC name of 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine (CID 139158835) is 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine.
What is the SMILES notation for 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine?
The canonical SMILES for 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine is CSc1cc(-c2ccccc2)nc(-c2ccccn2)c1.CSc1cc(-c2ccccc2)nc(-c2ccccn2)c1.
What is the InChIKey of 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine?
The InChIKey is DXHNXHSLYWNLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H14N2S/c2*1-20-14-11-16(13-7-3-2-4-8-13)19-17(12-14)15-9-5-6-10-18-15/h2*2-12H,1H3.
What are the key properties of 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine?
4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine has a molecular weight of 556.76 g/mol, XLogP of 9.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-phenyl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 139158835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).