2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline

C83H77N — CID 167387269

About 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline

2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline (PubChem CID 167387269) has the molecular formula C83H77N and a molecular weight of 1088.54 g/mol. Its IUPAC name is 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline.

Molecular Properties

• Compound Name: 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline
• PubChem CID: 167387269
• Molecular Formula: C83H77N
• Molecular Weight: 1088.54 g/mol
• Exact Mass: 1087.61
• IUPAC Name: 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline
• SMILES: CCCCCCc1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc5c(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)c6c(cc5n4)C(CCCCCC)(c4ccccc4)c4ccccc4-6)cc31)c1cc(CCCCCC)ccc1-2
• InChI: InChI=1S/C83H77N/c1-4-7-10-15-28-57-42-45-67-68-46-43-58(29-16-11-8-5-2)52-75(68)83(74(67)51-57)73-41-24-21-38-66(73)69-47-44-63(55-76(69)83)78-49-48-71-79(84-78)56-77-81(70-39-22-23-40-72(70)82(77,50-25-12-9-6-3)65-36-19-14-20-37-65)80(71)64-35-27-34-62(54-64)61-33-26-32-60(53-61)59-30-17-13-18-31-59/h13-14,17-24,26-27,30-49,51-56H,4-12,15-16,25,28-29,50H2,1-3H3
• InChIKey: CJOIHMBRCKGQBQ-UHFFFAOYSA-N
• XLogP: 22.78
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 20
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1088.54
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline?

The IUPAC name of 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline (CID 167387269) is 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline.

What is the SMILES notation for 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline?

The canonical SMILES for 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline is CCCCCCc1ccc2c(c1)C1(c3ccccc3-c3ccc(-c4ccc5c(-c6cccc(-c7cccc(-c8ccccc8)c7)c6)c6c(cc5n4)C(CCCCCC)(c4ccccc4)c4ccccc4-6)cc31)c1cc(CCCCCC)ccc1-2.

What is the InChIKey of 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline?

The InChIKey is CJOIHMBRCKGQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H77N/c1-4-7-10-15-28-57-42-45-67-68-46-43-58(29-16-11-8-5-2)52-75(68)83(74(67)51-57)73-41-24-21-38-66(73)69-47-44-63(55-76(69)83)78-49-48-71-79(84-78)56-77-81(70-39-22-23-40-72(70)82(77,50-25-12-9-6-3)65-36-19-14-20-37-65)80(71)64-35-27-34-62(54-64)61-33-26-32-60(53-61)59-30-17-13-18-31-59/h13-14,17-24,26-27,30-49,51-56H,4-12,15-16,25,28-29,50H2,1-3H3.

What are the key properties of 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline?

2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline has a molecular weight of 1088.54 g/mol, XLogP of 22.78, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2',7'-dihexyl-9,9'-spirobi[fluorene]-2-yl)-10-hexyl-10-phenyl-5-[3-(3-phenylphenyl)phenyl]indeno[1,2-g]quinoline is sourced from PubChem (CID 167387269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).