8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine

C41H26N2S2 — CID 155327248

IUPAC8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine
SMILESCc1c(-c2ccccc2)cc(-c2nccc3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c23)nc1-c1ccccc1
InChIInChI=1S/C41H26N2S2/c1-25-32(26-11-4-2-5-12-26)24-34(43-39(25)27-13-6-3-7-14-27)40-38-33-23-28(19-20-36(33)44-37(38)21-22-42-40)29-16-10-17-31-30-15-8-9-18-35(30)45-41(29)31/h2-24H,1H3
InChIKeyVRGPVYBSGDXZGX-UHFFFAOYSA-N
MW610.81 g/mol
LogP12.19
Rot. Bonds4

About 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine

8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine (PubChem CID 155327248) has the molecular formula C41H26N2S2 and a molecular weight of 610.81 g/mol. Its IUPAC name is 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine.

Molecular Properties

Compound Name8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine
PubChem CID155327248
Molecular FormulaC41H26N2S2
Molecular Weight610.81 g/mol
Exact Mass610.15
IUPAC Name8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine
SMILESCc1c(-c2ccccc2)cc(-c2nccc3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c23)nc1-c1ccccc1
InChIInChI=1S/C41H26N2S2/c1-25-32(26-11-4-2-5-12-26)24-34(43-39(25)27-13-6-3-7-14-27)40-38-33-23-28(19-20-36(33)44-37(38)21-22-42-40)29-16-10-17-31-30-15-8-9-18-35(30)45-41(29)31/h2-24H,1H3
InChIKeyVRGPVYBSGDXZGX-UHFFFAOYSA-N
XLogP12.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.81
LogP ≤ 512.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine with MolForge

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Related Compounds

8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzofuro[3,2-c]pyridine
CID 155327274
2-(8-dibenzothiophen-4-yldibenzothiophen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952729
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120
4-(3-methyl-4-phenylphenyl)dibenzothiophene
CID 146397381
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583300
2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199444
4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]-N-phenyl-N-(4-pyridin-2-ylphenyl)aniline
CID 90076336
3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 154602013
2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139304158
14-(4-dibenzothiophen-4-ylphenyl)-10-thia-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 129122879

Frequently Asked Questions

What is the IUPAC name of 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine?
The IUPAC name of 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine (CID 155327248) is 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine.
What is the SMILES notation for 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine?
The canonical SMILES for 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine is Cc1c(-c2ccccc2)cc(-c2nccc3sc4ccc(-c5cccc6c5sc5ccccc56)cc4c23)nc1-c1ccccc1.
What is the InChIKey of 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine?
The InChIKey is VRGPVYBSGDXZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2S2/c1-25-32(26-11-4-2-5-12-26)24-34(43-39(25)27-13-6-3-7-14-27)40-38-33-23-28(19-20-36(33)44-37(38)21-22-42-40)29-16-10-17-31-30-15-8-9-18-35(30)45-41(29)31/h2-24H,1H3.
What are the key properties of 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine?
8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine has a molecular weight of 610.81 g/mol, XLogP of 12.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzothiophen-4-yl-1-(5-methyl-4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[3,2-c]pyridine is sourced from PubChem (CID 155327248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).