5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole

C45H28N4 — CID 58202927

About 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole

5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (PubChem CID 58202927) has the molecular formula C45H28N4 and a molecular weight of 624.75 g/mol. Its IUPAC name is 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
• PubChem CID: 58202927
• Molecular Formula: C45H28N4
• Molecular Weight: 624.75 g/mol
• Exact Mass: 624.23
• IUPAC Name: 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole
• SMILES: c1cc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)nc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
• InChI: InChI=1S/C45H28N4/c1-2-12-30-27-31(24-23-29(30)11-1)44-33-14-3-5-16-35(33)45(36-17-6-4-15-34(36)44)40-20-9-18-38(47-40)39-19-10-22-43(48-39)49-41-21-8-7-13-32(41)37-28-46-26-25-42(37)49/h1-28H
• InChIKey: UNNOSKQTVUQTIK-UHFFFAOYSA-N
• XLogP: 11.43
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.75
LogP ≤ 5	11.43
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 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole (CID 58202927) is 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4cnccc43)n2)nc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.

What is the InChIKey of 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?

The InChIKey is UNNOSKQTVUQTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N4/c1-2-12-30-27-31(24-23-29(30)11-1)44-33-14-3-5-16-35(33)45(36-17-6-4-15-34(36)44)40-20-9-18-38(47-40)39-19-10-22-43(48-39)49-41-21-8-7-13-32(41)37-28-46-26-25-42(37)49/h1-28H.

What are the key properties of 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole?

5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole has a molecular weight of 624.75 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[4,3-b]indole is sourced from PubChem (CID 58202927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).