1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole

C43H28N2 — CID 169070720

About 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole

1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole (PubChem CID 169070720) has the molecular formula C43H28N2 and a molecular weight of 577.74 g/mol. Its IUPAC name is 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole.

Molecular Properties

• Compound Name: 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
• PubChem CID: 169070720
• Molecular Formula: C43H28N2
• Molecular Weight: 577.74 g/mol
• Exact Mass: 577.26
• IUPAC Name: 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2nc3ccccc3n2-c2ccccc2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c([2H])c1[2H]
• InChI: InChI=1S/C43H28N2/c1-2-15-30(16-3-1)43-44-38-23-11-13-25-40(38)45(43)39-24-12-10-22-37(39)42-35-20-8-6-18-33(35)41(34-19-7-9-21-36(34)42)32-27-26-29-14-4-5-17-31(29)28-32/h1-28H/i1D,2D,3D,15D,16D
• InChIKey: IPNVMBBUSOFQQY-NVQYRDKCSA-N
• XLogP: 11.49
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.74
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole?

The IUPAC name of 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole (CID 169070720) is 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole.

What is the SMILES notation for 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole?

The canonical SMILES for 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole is [2H]c1c([2H])c([2H])c(-c2nc3ccccc3n2-c2ccccc2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c([2H])c1[2H].

What is the InChIKey of 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole?

The InChIKey is IPNVMBBUSOFQQY-NVQYRDKCSA-N. The full InChI is InChI=1S/C43H28N2/c1-2-15-30(16-3-1)43-44-38-23-11-13-25-40(38)45(43)39-24-12-10-22-37(39)42-35-20-8-6-18-33(35)41(34-19-7-9-21-36(34)42)32-27-26-29-14-4-5-17-31(29)28-32/h1-28H/i1D,2D,3D,15D,16D.

What are the key properties of 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole?

1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole has a molecular weight of 577.74 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-(2,3,4,5,6-pentadeuteriophenyl)benzimidazole is sourced from PubChem (CID 169070720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).