3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine

C35H29NS — CID 171761271

IUPAC3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3cccc4c3sc3c(-c5cccc(C6CCCCC6)c5)cccc34)cc2)c1
InChIInChI=1S/C35H29NS/c1-2-8-24(9-3-1)27-10-4-11-28(22-27)31-14-6-16-33-32-15-5-13-30(34(32)37-35(31)33)26-19-17-25(18-20-26)29-12-7-21-36-23-29/h4-7,10-24H,1-3,8-9H2
InChIKeyGPBLIBRDJCETTM-UHFFFAOYSA-N
MW495.69 g/mol
LogP10.50
Rot. Bonds4

About 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine

3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine (PubChem CID 171761271) has the molecular formula C35H29NS and a molecular weight of 495.69 g/mol. Its IUPAC name is 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
PubChem CID171761271
Molecular FormulaC35H29NS
Molecular Weight495.69 g/mol
Exact Mass495.20
IUPAC Name3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
SMILESc1cncc(-c2ccc(-c3cccc4c3sc3c(-c5cccc(C6CCCCC6)c5)cccc34)cc2)c1
InChIInChI=1S/C35H29NS/c1-2-8-24(9-3-1)27-10-4-11-28(22-27)31-14-6-16-33-32-15-5-13-30(34(32)37-35(31)33)26-19-17-25(18-20-26)29-12-7-21-36-23-29/h4-7,10-24H,1-3,8-9H2
InChIKeyGPBLIBRDJCETTM-UHFFFAOYSA-N
XLogP10.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.69
LogP ≤ 510.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]phenyl]pyridine
CID 171760978
2-[6-(4-pyridin-3-ylphenyl)dibenzothiophen-4-yl]benzonitrile
CID 175610775
3-[8-(6-pyridin-3-yldibenzothiophen-2-yl)dibenzothiophen-4-yl]pyridine
CID 138726343
2-[3-(3,5-dicyclohexylphenyl)phenyl]-4-(3-pyridin-3-ylphenyl)-6-(3-pyrimidin-5-ylphenyl)-1,3,5-triazine
CID 164834095
4-(4-dibenzothiophen-4-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263534
3-[3-[6-[3,5-bis(trifluoromethyl)phenyl]dibenzothiophen-4-yl]-5-pyridin-3-ylphenyl]pyridine
CID 175610894
4-(3-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130465763
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
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261995
1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
CID 162497484
10-[3-(7-heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triacontanyl)phenyl]naphtho[1,2-b][1]benzothiole
CID 140875829
2-[6-(3,5-dipyridin-3-ylphenyl)dibenzothiophen-4-yl]benzonitrile
CID 175610878

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine (CID 171761271) is 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine is c1cncc(-c2ccc(-c3cccc4c3sc3c(-c5cccc(C6CCCCC6)c5)cccc34)cc2)c1.
What is the InChIKey of 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine?
The InChIKey is GPBLIBRDJCETTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29NS/c1-2-8-24(9-3-1)27-10-4-11-28(22-27)31-14-6-16-33-32-15-5-13-30(34(32)37-35(31)33)26-19-17-25(18-20-26)29-12-7-21-36-23-29/h4-7,10-24H,1-3,8-9H2.
What are the key properties of 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine?
3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine has a molecular weight of 495.69 g/mol, XLogP of 10.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(3-cyclohexylphenyl)dibenzothiophen-4-yl]phenyl]pyridine is sourced from PubChem (CID 171761271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).