5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine

C26H16BrNS — CID 142730997

IUPAC5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine
SMILESBrc1ccc(C2(c3ccccc3)c3ccccc3-c3sc4ccccc4c32)nc1
InChIInChI=1S/C26H16BrNS/c27-18-14-15-23(28-16-18)26(17-8-2-1-3-9-17)21-12-6-4-10-19(21)25-24(26)20-11-5-7-13-22(20)29-25/h1-16H
InChIKeyDBOKCCFAKWUHMY-UHFFFAOYSA-N
MW454.39 g/mol
LogP7.42
Rot. Bonds2

About 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine

5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine (PubChem CID 142730997) has the molecular formula C26H16BrNS and a molecular weight of 454.39 g/mol. Its IUPAC name is 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine
PubChem CID142730997
Molecular FormulaC26H16BrNS
Molecular Weight454.39 g/mol
Exact Mass453.02
IUPAC Name5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine
SMILESBrc1ccc(C2(c3ccccc3)c3ccccc3-c3sc4ccccc4c32)nc1
InChIInChI=1S/C26H16BrNS/c27-18-14-15-23(28-16-18)26(17-8-2-1-3-9-17)21-12-6-4-10-19(21)25-24(26)20-11-5-7-13-22(20)29-25/h1-16H
InChIKeyDBOKCCFAKWUHMY-UHFFFAOYSA-N
XLogP7.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.39
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11,11,19,19-tetraphenyl-3-thiapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 138701792
2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline
CID 134529429
10,10-diphenyl-2-(10-phenylanthracen-9-yl)indeno[1,2-b][1]benzothiole
CID 144856993
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)-1,3,5-triazine
CID 134529357
3-(10-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylanthracen-9-yl)pyridine
CID 126652979
8-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3'-ylquinoline
CID 134529399
2',3'-dimethoxyspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]
CID 122220664
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3-ylphenyl)pyrimidine
CID 134529406
2-naphthalen-1-yl-4-phenyl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-ylpyrimidine
CID 134529343
N-phenyl-N-triphenylen-2-ylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-2-amine
CID 134551351
11-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[2,3-b]quinoline
CID 138661461
8-bromo-6,6-diphenylindeno[2,1-b][1]benzothiole
CID 144856808

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine?
The IUPAC name of 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine (CID 142730997) is 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine?
The canonical SMILES for 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine is Brc1ccc(C2(c3ccccc3)c3ccccc3-c3sc4ccccc4c32)nc1.
What is the InChIKey of 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine?
The InChIKey is DBOKCCFAKWUHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16BrNS/c27-18-14-15-23(28-16-18)26(17-8-2-1-3-9-17)21-12-6-4-10-19(21)25-24(26)20-11-5-7-13-22(20)29-25/h1-16H.
What are the key properties of 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine?
5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine has a molecular weight of 454.39 g/mol, XLogP of 7.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(10-phenylindeno[1,2-b][1]benzothiol-10-yl)pyridine is sourced from PubChem (CID 142730997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).