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

C35H22N4 — CID 89253756

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

9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole (PubChem CID 89253756) has the molecular formula C35H22N4 and a molecular weight of 498.59 g/mol. Its IUPAC name is 9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
• PubChem CID: 89253756
• Molecular Formula: C35H22N4
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.18
• IUPAC Name: 9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole
• SMILES: c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2c3ccccc3cc3ccccc23)c1
• InChI: InChI=1S/C35H22N4/c1-3-11-25-23(9-1)21-24-10-2-4-12-26(24)35(25)31-16-7-14-29(37-31)30-15-8-18-34(38-30)39-32-17-6-5-13-27(32)28-19-20-36-22-33(28)39/h1-22H
• InChIKey: HNJKMGGZPXWGNE-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole (CID 89253756) is 9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole.

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

The canonical SMILES for 9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4ccncc43)n2)nc(-c2c3ccccc3cc3ccccc23)c1.

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

The InChIKey is HNJKMGGZPXWGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4/c1-3-11-25-23(9-1)21-24-10-2-4-12-26(24)35(25)31-16-7-14-29(37-31)30-15-8-18-34(38-30)39-32-17-6-5-13-27(32)28-19-20-36-22-33(28)39/h1-22H.

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

9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole has a molecular weight of 498.59 g/mol, XLogP of 8.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-(6-anthracen-9-yl-2-pyridinyl)-2-pyridinyl]pyrido[3,4-b]indole is sourced from PubChem (CID 89253756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).