2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine

C22H15NS — CID 144975716

IUPAC2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine
SMILESC1=Cc2ccc(-c3cccc4c3sc3ccccc34)nc2C=CC1
InChIInChI=1S/C22H15NS/c1-2-7-15-13-14-20(23-19(15)11-3-1)18-10-6-9-17-16-8-4-5-12-21(16)24-22(17)18/h2-14H,1H2
InChIKeySVXDHXCAVQJWDF-UHFFFAOYSA-N
MW325.44 g/mol
LogP6.55
Rot. Bonds1

About 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine

2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine (PubChem CID 144975716) has the molecular formula C22H15NS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine
PubChem CID144975716
Molecular FormulaC22H15NS
Molecular Weight325.44 g/mol
Exact Mass325.09
IUPAC Name2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine
SMILESC1=Cc2ccc(-c3cccc4c3sc3ccccc34)nc2C=CC1
InChIInChI=1S/C22H15NS/c1-2-7-15-13-14-20(23-19(15)11-3-1)18-10-6-9-17-16-8-4-5-12-21(16)24-22(17)18/h2-14H,1H2
InChIKeySVXDHXCAVQJWDF-UHFFFAOYSA-N
XLogP6.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.44
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzothiophen-4-yl-9-[3-(9-dibenzothiophen-4-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 90050285
2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine
CID 59747125
6-dibenzothiophen-4-yl-N-pyridin-2-ylpyridin-2-amine
CID 102496572
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-dibenzothiophen-4-yl-8-(3-triphenylen-2-ylphenyl)-[1]benzothiolo[2,3-b]pyridine
CID 122677137
N-[4-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121261358
2-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyridine
CID 89369534
2-dibenzothiophen-4-yl-4,6-dimethyl-1,3,5-triazine
CID 134472341
2-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-1,3-benzoxazole
CID 67888381
2-(4-dibenzofuran-2-ylphenyl)-9-dibenzothiophen-4-yl-1,10-phenanthroline
CID 90050253
2-dibenzothiophen-4-yl-1H-benzimidazole
CID 139436159
4-[3,5-di(dibenzothiophen-4-yl)phenyl]-2,6-diphenylpyridine
CID 59133526

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine?
The IUPAC name of 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine (CID 144975716) is 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine?
The canonical SMILES for 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine is C1=Cc2ccc(-c3cccc4c3sc3ccccc34)nc2C=CC1.
What is the InChIKey of 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine?
The InChIKey is SVXDHXCAVQJWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NS/c1-2-7-15-13-14-20(23-19(15)11-3-1)18-10-6-9-17-16-8-4-5-12-21(16)24-22(17)18/h2-14H,1H2.
What are the key properties of 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine?
2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine has a molecular weight of 325.44 g/mol, XLogP of 6.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-7H-cyclohepta[b]pyridine is sourced from PubChem (CID 144975716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).