7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole

C35H22FN3S — CID 140954133

About 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole

7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole (PubChem CID 140954133) has the molecular formula C35H22FN3S and a molecular weight of 535.65 g/mol. Its IUPAC name is 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
• PubChem CID: 140954133
• Molecular Formula: C35H22FN3S
• Molecular Weight: 535.65 g/mol
• Exact Mass: 535.15
• IUPAC Name: 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole
• SMILES: FC(c1cccc(-c2ccccn2)c1)c1cc2c(c3ccccc3n2-c2ccccn2)c2sc3ccccc3c12
• InChI: InChI=1S/C35H22FN3S/c36-34(23-11-9-10-22(20-23)27-14-5-7-18-37-27)26-21-29-33(35-32(26)25-13-2-4-16-30(25)40-35)24-12-1-3-15-28(24)39(29)31-17-6-8-19-38-31/h1-21,34H
• InChIKey: AQTNFDOZTLHNLK-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 30.71 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.65
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?

The IUPAC name of 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole (CID 140954133) is 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole.

What is the SMILES notation for 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?

The canonical SMILES for 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole is FC(c1cccc(-c2ccccn2)c1)c1cc2c(c3ccccc3n2-c2ccccn2)c2sc3ccccc3c12.

What is the InChIKey of 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?

The InChIKey is AQTNFDOZTLHNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22FN3S/c36-34(23-11-9-10-22(20-23)27-14-5-7-18-37-27)26-21-29-33(35-32(26)25-13-2-4-16-30(25)40-35)24-12-1-3-15-28(24)39(29)31-17-6-8-19-38-31/h1-21,34H.

What are the key properties of 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole?

7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole has a molecular weight of 535.65 g/mol, XLogP of 9.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[fluoro-(3-pyridin-2-ylphenyl)methyl]-5-pyridin-2-yl-[1]benzothiolo[3,2-c]carbazole is sourced from PubChem (CID 140954133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).