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

C45H28N4 — CID 59480454

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

5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (PubChem CID 59480454) 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[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole
• PubChem CID: 59480454
• 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[3,2-b]indole
• SMILES: c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)n2)nc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
• InChI: InChI=1S/C45H28N4/c1-2-13-30-28-31(26-25-29(30)12-1)43-32-14-3-5-16-34(32)44(35-17-6-4-15-33(35)43)39-21-9-19-37(47-39)38-20-10-24-42(48-38)49-40-22-8-7-18-36(40)45-41(49)23-11-27-46-45/h1-28H
• InChIKey: RNOCTYLLEYBGQY-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[3,2-b]indole?

The IUPAC name of 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole (CID 59480454) is 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole.

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

The canonical SMILES for 5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indole is c1cc(-c2cccc(-n3c4ccccc4c4ncccc43)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[3,2-b]indole?

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

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

5-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-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[3,2-b]indole is sourced from PubChem (CID 59480454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).