9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole

C32H20N6 — CID 59480497

About 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole

9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 59480497) has the molecular formula C32H20N6 and a molecular weight of 488.55 g/mol. Its IUPAC name is 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
• PubChem CID: 59480497
• Molecular Formula: C32H20N6
• Molecular Weight: 488.55 g/mol
• Exact Mass: 488.17
• IUPAC Name: 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
• SMILES: c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-n2c3ccccc3c3ccncc32)c1
• InChI: InChI=1S/C32H20N6/c1-3-11-27-21(7-1)23-15-17-33-19-29(23)37(27)31-13-5-9-25(35-31)26-10-6-14-32(36-26)38-28-12-4-2-8-22(28)24-16-18-34-20-30(24)38/h1-20H
• InChIKey: BWXFNTPOENCUGE-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.55
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole?

The IUPAC name of 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole (CID 59480497) is 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole.

What is the SMILES notation for 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole?

The canonical SMILES for 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-n2c3ccccc3c3ccncc32)c1.

What is the InChIKey of 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole?

The InChIKey is BWXFNTPOENCUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N6/c1-3-11-27-21(7-1)23-15-17-33-19-29(23)37(27)31-13-5-9-25(35-31)26-10-6-14-32(36-26)38-28-12-4-2-8-22(28)24-16-18-34-20-30(24)38/h1-20H.

What are the key properties of 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole?

9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole has a molecular weight of 488.55 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 59480497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).