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

C39H24N6 — CID 70827248

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

4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile (PubChem CID 70827248) has the molecular formula C39H24N6 and a molecular weight of 576.66 g/mol. Its IUPAC name is 4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile.

Molecular Properties

• Compound Name: 4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile
• PubChem CID: 70827248
• Molecular Formula: C39H24N6
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.21
• IUPAC Name: 4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile
• SMILES: N#Cc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6ccncc65)n4)cc(-c4ccncc4)n3)cc2)cc1
• InChI: InChI=1S/C39H24N6/c40-24-26-8-10-27(11-9-26)28-12-14-29(15-13-28)35-22-31(23-36(43-35)30-16-19-41-20-17-30)34-5-3-7-39(44-34)45-37-6-2-1-4-32(37)33-18-21-42-25-38(33)45/h1-23,25H
• InChIKey: LRARNNNIWGQUJE-UHFFFAOYSA-N
• XLogP: 8.90
• TPSA: 80.28 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	8.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile (CID 70827248) is 4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile.

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

The canonical SMILES for 4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6ccncc65)n4)cc(-c4ccncc4)n3)cc2)cc1.

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

The InChIKey is LRARNNNIWGQUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N6/c40-24-26-8-10-27(11-9-26)28-12-14-29(15-13-28)35-22-31(23-36(43-35)30-16-19-41-20-17-30)34-5-3-7-39(44-34)45-37-6-2-1-4-32(37)33-18-21-42-25-38(33)45/h1-23,25H.

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

4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile has a molecular weight of 576.66 g/mol, XLogP of 8.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[6-pyridin-4-yl-4-(6-pyrido[3,4-b]indol-9-yl-2-pyridinyl)-2-pyridinyl]phenyl]benzonitrile is sourced from PubChem (CID 70827248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).