3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole

C41H27FN4 — CID 140952126

About 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole

3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole (PubChem CID 140952126) has the molecular formula C41H27FN4 and a molecular weight of 594.69 g/mol. Its IUPAC name is 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
• PubChem CID: 140952126
• Molecular Formula: C41H27FN4
• Molecular Weight: 594.69 g/mol
• Exact Mass: 594.22
• IUPAC Name: 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
• SMILES: FC(c1cccc(-c2ccccn2)c1)c1ccc2c3cc4c(cc3n(-c3ccccn3)c2c1)c1ccccc1n4-c1ccccc1
• InChI: InChI=1S/C41H27FN4/c42-41(28-12-10-11-27(23-28)35-16-6-8-21-43-35)29-19-20-32-34-25-38-33(26-39(34)46(37(32)24-29)40-18-7-9-22-44-40)31-15-4-5-17-36(31)45(38)30-13-2-1-3-14-30/h1-26,41H
• InChIKey: WXKWPCFOOOZHOW-UHFFFAOYSA-N
• XLogP: 10.40
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.69
LogP ≤ 5	10.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole?

The IUPAC name of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole (CID 140952126) is 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole.

What is the SMILES notation for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole?

The canonical SMILES for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole is FC(c1cccc(-c2ccccn2)c1)c1ccc2c3cc4c(cc3n(-c3ccccn3)c2c1)c1ccccc1n4-c1ccccc1.

What is the InChIKey of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole?

The InChIKey is WXKWPCFOOOZHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27FN4/c42-41(28-12-10-11-27(23-28)35-16-6-8-21-43-35)29-19-20-32-34-25-38-33(26-39(34)46(37(32)24-29)40-18-7-9-22-44-40)31-15-4-5-17-36(31)45(38)30-13-2-1-3-14-30/h1-26,41H.

What are the key properties of 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole?

3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole has a molecular weight of 594.69 g/mol, XLogP of 10.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[fluoro-(3-pyridin-2-ylphenyl)methyl]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole is sourced from PubChem (CID 140952126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).