5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

C37H24N4 — CID 59480404

About 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole

5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59480404) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
• PubChem CID: 59480404
• Molecular Formula: C37H24N4
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.20
• IUPAC Name: 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
• SMILES: c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-c2ccccc2-c2ccc3ccccc3c2)c1
• InChI: InChI=1S/C37H24N4/c1-2-11-26-24-27(22-21-25(26)10-1)28-12-3-4-13-29(28)31-15-7-16-32(39-31)33-17-8-20-36(40-33)41-34-18-6-5-14-30(34)37-35(41)19-9-23-38-37/h1-24H
• InChIKey: WKYCEFKGWRLXTK-UHFFFAOYSA-N
• XLogP: 9.12
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	9.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?

The IUPAC name of 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (CID 59480404) is 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-c2ccccc2-c2ccc3ccccc3c2)c1.

What is the InChIKey of 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?

The InChIKey is WKYCEFKGWRLXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-2-11-26-24-27(22-21-25(26)10-1)28-12-3-4-13-29(28)31-15-7-16-32(39-31)33-17-8-20-36(40-33)41-34-18-6-5-14-30(34)37-35(41)19-9-23-38-37/h1-24H.

What are the key properties of 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole?

5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole has a molecular weight of 524.63 g/mol, XLogP of 9.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59480404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).