2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole

C100H68N4 — CID 167191942

About 2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole

2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole (PubChem CID 167191942) has the molecular formula C100H68N4 and a molecular weight of 1325.67 g/mol. Its IUPAC name is 2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole.

Molecular Properties

• Compound Name: 2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole
• PubChem CID: 167191942
• Molecular Formula: C100H68N4
• Molecular Weight: 1325.67 g/mol
• Exact Mass: 1324.54
• IUPAC Name: 2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole
• SMILES: CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4ccc(-c5ccc(-c6ccc7c(-c8c9ccccc9c(-c9ccc(-n%10c(CC)nc%11ccccc%11%10)cc9)c9ccc(-c%10cccc%11ccccc%10%11)cc89)cccc7c6)cc5)cc4)ccc23)cc1
• InChI: InChI=1S/C100H68N4/c1-3-95-101-91-34-13-15-36-93(91)103(95)75-53-46-69(47-54-75)97-83-27-9-11-29-85(83)99(81-32-18-23-68-21-6-8-26-78(68)81)89-61-72(51-58-87(89)97)66-44-40-64(41-45-66)63-38-42-65(43-39-63)71-50-57-80-73(60-71)24-19-33-82(80)100-86-30-12-10-28-84(86)98(70-48-55-76(56-49-70)104-94-37-16-14-35-92(94)102-96(104)4-2)88-59-52-74(62-90(88)100)79-31-17-22-67-20-5-7-25-77(67)79/h5-62H,3-4H2,1-2H3
• InChIKey: RARHXLSWZVGDCE-UHFFFAOYSA-N
• XLogP: 26.90
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1325.67
LogP ≤ 5	26.90
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 2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole?

The IUPAC name of 2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole (CID 167191942) is 2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole.

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

The canonical SMILES for 2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole is CCc1nc2ccccc2n1-c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3cc(-c4ccc(-c5ccc(-c6ccc7c(-c8c9ccccc9c(-c9ccc(-n%10c(CC)nc%11ccccc%11%10)cc9)c9ccc(-c%10cccc%11ccccc%10%11)cc89)cccc7c6)cc5)cc4)ccc23)cc1.

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

The InChIKey is RARHXLSWZVGDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H68N4/c1-3-95-101-91-34-13-15-36-93(91)103(95)75-53-46-69(47-54-75)97-83-27-9-11-29-85(83)99(81-32-18-23-68-21-6-8-26-78(68)81)89-61-72(51-58-87(89)97)66-44-40-64(41-45-66)63-38-42-65(43-39-63)71-50-57-80-73(60-71)24-19-33-82(80)100-86-30-12-10-28-84(86)98(70-48-55-76(56-49-70)104-94-37-16-14-35-92(94)102-96(104)4-2)88-59-52-74(62-90(88)100)79-31-17-22-67-20-5-7-25-77(67)79/h5-62H,3-4H2,1-2H3.

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

2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole has a molecular weight of 1325.67 g/mol, XLogP of 26.90, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-[4-[3-[4-[4-[5-[10-[4-(2-ethylbenzimidazol-1-yl)phenyl]-2-naphthalen-1-ylanthracen-9-yl]naphthalen-2-yl]phenyl]phenyl]-10-naphthalen-1-ylanthracen-9-yl]phenyl]benzimidazole is sourced from PubChem (CID 167191942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).