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

C44H28N6 — CID 58098979

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

5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole (PubChem CID 58098979) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 58098979
• Molecular Formula: C44H28N6
• Molecular Weight: 640.75 g/mol
• Exact Mass: 640.24
• IUPAC Name: 5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• SMILES: c1cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2)nc(-c2cccc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)n2)c1
• InChI: InChI=1S/C44H28N6/c1-3-14-40-33(8-1)35-28-45-27-25-42(35)49(40)31-21-17-29(18-22-31)36-10-5-12-38(47-36)39-13-6-11-37(48-39)30-19-23-32(24-20-30)50-41-15-4-2-9-34(41)44-43(50)16-7-26-46-44/h1-28H
• InChIKey: NFLHPLRRKIWEMJ-UHFFFAOYSA-N
• XLogP: 10.46
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.75
LogP ≤ 5	10.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole (CID 58098979) is 5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

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

The canonical SMILES for 5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole is c1cc(-c2ccc(-n3c4ccccc4c4cnccc43)cc2)nc(-c2cccc(-c3ccc(-n4c5ccccc5c5ncccc54)cc3)n2)c1.

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

The InChIKey is NFLHPLRRKIWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-3-14-40-33(8-1)35-28-45-27-25-42(35)49(40)31-21-17-29(18-22-31)36-10-5-12-38(47-36)39-13-6-11-37(48-39)30-19-23-32(24-20-30)50-41-15-4-2-9-34(41)44-43(50)16-7-26-46-44/h1-28H.

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

5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 640.75 g/mol, XLogP of 10.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[6-[6-(4-pyrido[3,2-b]indol-5-ylphenyl)-2-pyridinyl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 58098979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).