5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole

C37H26N4 — CID 143626906

About 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole

5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole (PubChem CID 143626906) has the molecular formula C37H26N4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole
• PubChem CID: 143626906
• Molecular Formula: C37H26N4
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.22
• IUPAC Name: 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole
• SMILES: C1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4ccccc4-c4ccc5ccccc5c4)n3)n2)CN1
• InChI: InChI=1S/C37H26N4/c1-2-10-26-23-27(20-19-25(26)9-1)28-11-3-4-12-29(28)32-14-7-15-33(39-32)34-16-8-18-37(40-34)41-35-17-6-5-13-30(35)31-24-38-22-21-36(31)41/h1-23,38H,24H2
• InChIKey: DCPSKGJLNSLBGN-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 42.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	1
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]-1,2-dihydropyrido[4,3-b]indole?

The IUPAC name of 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole (CID 143626906) is 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole.

What is the SMILES notation for 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole?

The canonical SMILES for 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole is C1=Cc2c(c3ccccc3n2-c2cccc(-c3cccc(-c4ccccc4-c4ccc5ccccc5c4)n3)n2)CN1.

What is the InChIKey of 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole?

The InChIKey is DCPSKGJLNSLBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4/c1-2-10-26-23-27(20-19-25(26)9-1)28-11-3-4-12-29(28)32-14-7-15-33(39-32)34-16-8-18-37(40-34)41-35-17-6-5-13-30(35)31-24-38-22-21-36(31)41/h1-23,38H,24H2.

What are the key properties of 5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole?

5-[6-[6-(2-naphthalen-2-ylphenyl)-2-pyridinyl]-2-pyridinyl]-1,2-dihydropyrido[4,3-b]indole has a molecular weight of 526.64 g/mol, XLogP of 8.65, 4 rotatable bonds, 1 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]-1,2-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 143626906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).