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

C46H26F6N6 — CID 59325991

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

5-[3-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole (PubChem CID 59325991) has the molecular formula C46H26F6N6 and a molecular weight of 776.74 g/mol. Its IUPAC name is 5-[3-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[3-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
• PubChem CID: 59325991
• Molecular Formula: C46H26F6N6
• Molecular Weight: 776.74 g/mol
• Exact Mass: 776.21
• IUPAC Name: 5-[3-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole
• SMILES: FC(F)(F)c1cc(-c2cc(-c3cc(-n4c5ccccc5c5cnccc54)cc(C(F)(F)F)c3)nc(-c3ccccn3)c2)cc(-n2c3ccccc3c3cnccc32)c1
• InChI: InChI=1S/C46H26F6N6/c47-45(48,49)30-17-27(19-32(23-30)57-41-10-3-1-7-34(41)36-25-53-15-12-43(36)57)28-21-39(56-40(22-28)38-9-5-6-14-55-38)29-18-31(46(50,51)52)24-33(20-29)58-42-11-4-2-8-35(42)37-26-54-16-13-44(37)58/h1-26H
• InChIKey: ZDFHOZZELBYXNH-UHFFFAOYSA-N
• XLogP: 12.50
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	776.74
LogP ≤ 5	12.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[3-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole (CID 59325991) is 5-[3-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole.

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

The canonical SMILES for 5-[3-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole is FC(F)(F)c1cc(-c2cc(-c3cc(-n4c5ccccc5c5cnccc54)cc(C(F)(F)F)c3)nc(-c3ccccn3)c2)cc(-n2c3ccccc3c3cnccc32)c1.

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

The InChIKey is ZDFHOZZELBYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26F6N6/c47-45(48,49)30-17-27(19-32(23-30)57-41-10-3-1-7-34(41)36-25-53-15-12-43(36)57)28-21-39(56-40(22-28)38-9-5-6-14-55-38)29-18-31(46(50,51)52)24-33(20-29)58-42-11-4-2-8-35(42)37-26-54-16-13-44(37)58/h1-26H.

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

5-[3-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole has a molecular weight of 776.74 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[2-pyridin-2-yl-6-[3-pyrido[4,3-b]indol-5-yl-5-(trifluoromethyl)phenyl]-4-pyridinyl]-5-(trifluoromethyl)phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 59325991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).