5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole

C38H24N6 — CID 59480516

About 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole

5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole (PubChem CID 59480516) has the molecular formula C38H24N6 and a molecular weight of 564.65 g/mol. Its IUPAC name is 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 59480516
• Molecular Formula: C38H24N6
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.21
• IUPAC Name: 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• SMILES: c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2ccccc2-n2c3ccccc3c3cnccc32)c1
• InChI: InChI=1S/C38H24N6/c1-5-16-34-25(9-1)27-19-21-40-24-37(27)44(34)38-18-8-14-32(42-38)31-13-7-12-30(41-31)28-11-3-6-17-35(28)43-33-15-4-2-10-26(33)29-23-39-22-20-36(29)43/h1-24H
• InChIKey: NKYHYIRXVUDEGI-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	8.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole (CID 59480516) is 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2ccccc2-n2c3ccccc3c3cnccc32)c1.

What is the InChIKey of 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The InChIKey is NKYHYIRXVUDEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N6/c1-5-16-34-25(9-1)27-19-21-40-24-37(27)44(34)38-18-8-14-32(42-38)31-13-7-12-30(41-31)28-11-3-6-17-35(28)43-33-15-4-2-10-26(33)29-23-39-22-20-36(29)43/h1-24H.

What are the key properties of 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 564.65 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[6-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 59480516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).