2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole

C42H30N2 — CID 143445043

About 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole

2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole (PubChem CID 143445043) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole.

Molecular Properties

• Compound Name: 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole
• PubChem CID: 143445043
• Molecular Formula: C42H30N2
• Molecular Weight: 562.72 g/mol
• Exact Mass: 562.24
• IUPAC Name: 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole
• SMILES: Cc1c2ccccc2c(-c2ccc3cc(-n4c(-c5ccc6c(c5)=CCCC=6)nc5ccccc54)ccc3c2)c2ccccc12
• InChI: InChI=1S/C42H30N2/c1-27-35-12-4-6-14-37(35)41(38-15-7-5-13-36(27)38)32-20-19-31-26-34(23-22-30(31)24-32)44-40-17-9-8-16-39(40)43-42(44)33-21-18-28-10-2-3-11-29(28)25-33/h4-26H,2-3H2,1H3
• InChIKey: KJQNYSPRYSZRLS-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.72
LogP ≤ 5	9.48
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 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole?

The IUPAC name of 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole (CID 143445043) is 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole.

What is the SMILES notation for 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole?

The canonical SMILES for 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole is Cc1c2ccccc2c(-c2ccc3cc(-n4c(-c5ccc6c(c5)=CCCC=6)nc5ccccc54)ccc3c2)c2ccccc12.

What is the InChIKey of 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole?

The InChIKey is KJQNYSPRYSZRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2/c1-27-35-12-4-6-14-37(35)41(38-15-7-5-13-36(27)38)32-20-19-31-26-34(23-22-30(31)24-32)44-40-17-9-8-16-39(40)43-42(44)33-21-18-28-10-2-3-11-29(28)25-33/h4-26H,2-3H2,1H3.

What are the key properties of 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole?

2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole has a molecular weight of 562.72 g/mol, XLogP of 9.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydronaphthalen-2-yl)-1-[6-(10-methylanthracen-9-yl)naphthalen-2-yl]benzimidazole is sourced from PubChem (CID 143445043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).