2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine

C33H21N3S — CID 164817004

IUPAC2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cn3)c2)cc1
InChIInChI=1S/C33H21N3S/c1-2-8-22(9-3-1)25-18-30(28-11-6-7-17-34-28)36-31(19-25)29-16-14-24(21-35-29)23-13-15-27-26-10-4-5-12-32(26)37-33(27)20-23/h1-21H
InChIKeyXTRNFLCDPZKMQS-UHFFFAOYSA-N
MW491.62 g/mol
LogP8.91
Rot. Bonds4

About 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine

2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine (PubChem CID 164817004) has the molecular formula C33H21N3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine
PubChem CID164817004
Molecular FormulaC33H21N3S
Molecular Weight491.62 g/mol
Exact Mass491.15
IUPAC Name2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cn3)c2)cc1
InChIInChI=1S/C33H21N3S/c1-2-8-22(9-3-1)25-18-30(28-11-6-7-17-34-28)36-31(19-25)29-16-14-24(21-35-29)23-13-15-27-26-10-4-5-12-32(26)37-33(27)20-23/h1-21H
InChIKeyXTRNFLCDPZKMQS-UHFFFAOYSA-N
XLogP8.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-2-pyridinyl]-4-phenyl-6-pyridin-2-ylpyridine;2-[4-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]dibenzothiophene 5,5-dioxide
CID 165075410
2-phenyl-4-(4-phenylphenyl)-6-[8-(6-pyridin-2-yl-3-pyridinyl)dibenzothiophen-2-yl]-1,3,5-triazine
CID 134380771
2,6-dipyridin-2-yl-4-[4-[3-pyridin-2-yl-5-(6-pyridin-2-yl-3-pyridinyl)phenyl]phenyl]pyridine
CID 126730919
2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-(5-phenyl-2-pyridinyl)-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine;2,4-diphenyl-6-[4-[4-[6-[4-(4-phenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]phenyl]phenyl]pyrimidine
CID 165075170
2-[4-dibenzothiophen-3-yl-6-(4,6-diphenylpyrimidin-2-yl)-2-pyridinyl]-4,6-diphenylpyrimidine
CID 153316115
2-[6-[4-(3,5-diphenylphenyl)-6-pyridin-2-yl-2-pyridinyl]-3-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 164817295
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-phenyl-[1]benzothiolo[2,3-c]quinoline
CID 157078508
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
2-[3,5-di(dibenzothiophen-3-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262719
4-(8-dibenzothiophen-3-yldibenzothiophen-2-yl)-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076240

Frequently Asked Questions

What is the IUPAC name of 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine?
The IUPAC name of 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine (CID 164817004) is 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine is c1ccc(-c2cc(-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cn3)c2)cc1.
What is the InChIKey of 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine?
The InChIKey is XTRNFLCDPZKMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3S/c1-2-8-22(9-3-1)25-18-30(28-11-6-7-17-34-28)36-31(19-25)29-16-14-24(21-35-29)23-13-15-27-26-10-4-5-12-32(26)37-33(27)20-23/h1-21H.
What are the key properties of 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine?
2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine has a molecular weight of 491.62 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-dibenzothiophen-3-yl-2-pyridinyl)-4-phenyl-6-pyridin-2-ylpyridine is sourced from PubChem (CID 164817004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).