5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole

C54H35N9 — CID 71021903

About 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole

5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole (PubChem CID 71021903) has the molecular formula C54H35N9 and a molecular weight of 809.94 g/mol. Its IUPAC name is 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
• PubChem CID: 71021903
• Molecular Formula: C54H35N9
• Molecular Weight: 809.94 g/mol
• Exact Mass: 809.30
• IUPAC Name: 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole
• SMILES: C1=Cc2c(c3ccccc3n2-c2cccc(-c3cc(-c4cccc(-n5c6ccccc6c6cnccc65)n4)cc(-c4cccc(-n5c6ccccc6c6cnccc65)n4)c3)n2)CN1
• InChI: InChI=1S/C54H35N9/c1-4-16-46-37(10-1)40-31-55-25-22-49(40)61(46)52-19-7-13-43(58-52)34-28-35(44-14-8-20-53(59-44)62-47-17-5-2-11-38(47)41-32-56-26-23-50(41)62)30-36(29-34)45-15-9-21-54(60-45)63-48-18-6-3-12-39(48)42-33-57-27-24-51(42)63/h1-32,57H,33H2
• InChIKey: BYXIMJHAHVJTFB-UHFFFAOYSA-N
• XLogP: 11.87
• TPSA: 91.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.94
LogP ≤ 5	11.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole (CID 71021903) is 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole is C1=Cc2c(c3ccccc3n2-c2cccc(-c3cc(-c4cccc(-n5c6ccccc6c6cnccc65)n4)cc(-c4cccc(-n5c6ccccc6c6cnccc65)n4)c3)n2)CN1.

What is the InChIKey of 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole?

The InChIKey is BYXIMJHAHVJTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N9/c1-4-16-46-37(10-1)40-31-55-25-22-49(40)61(46)52-19-7-13-43(58-52)34-28-35(44-14-8-20-53(59-44)62-47-17-5-2-11-38(47)41-32-56-26-23-50(41)62)30-36(29-34)45-15-9-21-54(60-45)63-48-18-6-3-12-39(48)42-33-57-27-24-51(42)63/h1-32,57H,33H2.

What are the key properties of 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole?

5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 809.94 g/mol, XLogP of 11.87, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[3-[6-(1,2-dihydropyrido[4,3-b]indol-5-yl)-2-pyridinyl]-5-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)phenyl]-2-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 71021903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).