3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine

C39H25N3S — CID 171760978

IUPAC3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3cccc4c3sc3c(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cccc34)cc2)c1
InChIInChI=1S/C39H25N3S/c1-9-34(27-15-13-26(14-16-27)28-6-3-17-40-23-28)38-36(11-1)37-12-2-10-35(39(37)43-38)33-21-31(29-7-4-18-41-24-29)20-32(22-33)30-8-5-19-42-25-30/h1-25H
InChIKeyXGMTXPYRPAEVTO-UHFFFAOYSA-N
MW567.72 g/mol
LogP10.57
Rot. Bonds5

About 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine

3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine (PubChem CID 171760978) has the molecular formula C39H25N3S and a molecular weight of 567.72 g/mol. Its IUPAC name is 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
PubChem CID171760978
Molecular FormulaC39H25N3S
Molecular Weight567.72 g/mol
Exact Mass567.18
IUPAC Name3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3cccc4c3sc3c(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cccc34)cc2)c1
InChIInChI=1S/C39H25N3S/c1-9-34(27-15-13-26(14-16-27)28-6-3-17-40-23-28)38-36(11-1)37-12-2-10-35(39(37)43-38)33-21-31(29-7-4-18-41-24-29)20-32(22-33)30-8-5-19-42-25-30/h1-25H
InChIKeyXGMTXPYRPAEVTO-UHFFFAOYSA-N
XLogP10.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.72
LogP ≤ 510.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[6-[3,5-bis(trifluoromethyl)phenyl]dibenzothiophen-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610894
2,4-diphenyl-6-[4-[6-[3-(6-phenyl-3-pyridinyl)-5-pyridin-3-ylphenyl]dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 171761000
3-[3-pyridin-3-yl-5-[6-[2-(trifluoromethyl)phenyl]dibenzothiophen-4-yl]phenyl]pyridine
CID 171760853
2-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]benzonitrile
CID 175610878
3-[3-[6-(2-isocyanophenyl)dibenzothiophen-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 171761284
2-[6-(4-pyridin-3-ylphenyl)dibenzothiophen-4-yl]benzonitrile
CID 175610775
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261995
3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
CID 171761271
3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine
CID 138726343
4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263534
4-(3-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465763
2-phenyl-6-[4-(2-phenyl-1,3-benzoxazol-6-yl)-6-[4-[6-(4-pyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 171761143

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine (CID 171760978) is 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine is c1cncc(-c2ccc(-c3cccc4c3sc3c(-c5cc(-c6cccnc6)cc(-c6cccnc6)c5)cccc34)cc2)c1.
What is the InChIKey of 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine?
The InChIKey is XGMTXPYRPAEVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3S/c1-9-34(27-15-13-26(14-16-27)28-6-3-17-40-23-28)38-36(11-1)37-12-2-10-35(39(37)43-38)33-21-31(29-7-4-18-41-24-29)20-32(22-33)30-8-5-19-42-25-30/h1-25H.
What are the key properties of 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine?
3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine has a molecular weight of 567.72 g/mol, XLogP of 10.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine is sourced from PubChem (CID 171760978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).