7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline

C90H92N2 — CID 153422781

About 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline

7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline (PubChem CID 153422781) has the molecular formula C90H92N2 and a molecular weight of 1201.74 g/mol. Its IUPAC name is 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline.

Molecular Properties

• Compound Name: 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline
• PubChem CID: 153422781
• Molecular Formula: C90H92N2
• Molecular Weight: 1201.74 g/mol
• Exact Mass: 1200.73
• IUPAC Name: 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline
• SMILES: CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cccc4c3ccc3cc(-c5cccc(-c6cnc7c(ccc8c(-c9ccc%10c(c9)C(CCCCCC)(CCCCCC)c9ccccc9-%10)cccc87)c6)c5-c5cc(C)cc(C)c5)cnc34)cc21
• InChI: InChI=1S/C90H92N2/c1-7-11-15-23-48-89(49-24-16-12-8-2)82-38-21-19-30-76(82)78-46-40-63(57-84(78)89)70-32-27-36-80-74(70)44-42-65-55-68(59-91-87(65)80)72-34-29-35-73(86(72)67-53-61(5)52-62(6)54-67)69-56-66-43-45-75-71(33-28-37-81(75)88(66)92-60-69)64-41-47-79-77-31-20-22-39-83(77)90(85(79)58-64,50-25-17-13-9-3)51-26-18-14-10-4/h19-22,27-47,52-60H,7-18,23-26,48-51H2,1-6H3
• InChIKey: QFOMKGNGHMYNSJ-UHFFFAOYSA-N
• XLogP: 26.46
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 25
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1201.74
LogP ≤ 5	26.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline?

The IUPAC name of 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline (CID 153422781) is 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline.

What is the SMILES notation for 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline?

The canonical SMILES for 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline is CCCCCCC1(CCCCCC)c2ccccc2-c2ccc(-c3cccc4c3ccc3cc(-c5cccc(-c6cnc7c(ccc8c(-c9ccc%10c(c9)C(CCCCCC)(CCCCCC)c9ccccc9-%10)cccc87)c6)c5-c5cc(C)cc(C)c5)cnc34)cc21.

What is the InChIKey of 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline?

The InChIKey is QFOMKGNGHMYNSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H92N2/c1-7-11-15-23-48-89(49-24-16-12-8-2)82-38-21-19-30-76(82)78-46-40-63(57-84(78)89)70-32-27-36-80-74(70)44-42-65-55-68(59-91-87(65)80)72-34-29-35-73(86(72)67-53-61(5)52-62(6)54-67)69-56-66-43-45-75-71(33-28-37-81(75)88(66)92-60-69)64-41-47-79-77-31-20-22-39-83(77)90(85(79)58-64,50-25-17-13-9-3)51-26-18-14-10-4/h19-22,27-47,52-60H,7-18,23-26,48-51H2,1-6H3.

What are the key properties of 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline?

7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline has a molecular weight of 1201.74 g/mol, XLogP of 26.46, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(9,9-dihexylfluoren-2-yl)-3-[3-[7-(9,9-dihexylfluoren-2-yl)benzo[h]quinolin-3-yl]-2-(3,5-dimethylphenyl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 153422781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).