9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene

C84H66 — CID 20821974

About 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene

9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene (PubChem CID 20821974) has the molecular formula C84H66 and a molecular weight of 1075.45 g/mol. Its IUPAC name is 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene.

Molecular Properties

• Compound Name: 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene
• PubChem CID: 20821974
• Molecular Formula: C84H66
• Molecular Weight: 1075.45 g/mol
• Exact Mass: 1074.52
• IUPAC Name: 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene
• SMILES: CCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc8c(c7)C(CC)(CC)c7ccccc7-8)c7ccccc67)c6ccccc56)ccc3-4)c3ccccc23)cc1
• InChI: InChI=1S/C84H66/c1-6-52-39-41-53(42-40-52)77-61-26-11-13-28-63(61)78(64-29-14-12-27-62(64)77)55-44-47-59-60-48-45-56(51-76(60)84(9-4,10-5)75(59)50-55)80-67-32-17-21-36-71(67)82(72-37-22-18-33-68(72)80)81-69-34-19-15-30-65(69)79(66-31-16-20-35-70(66)81)54-43-46-58-57-25-23-24-38-73(57)83(7-2,8-3)74(58)49-54/h11-51H,6-10H2,1-5H3
• InChIKey: LKRQZKQEDUBMOQ-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1075.45
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene?

The IUPAC name of 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene (CID 20821974) is 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene.

What is the SMILES notation for 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene?

The canonical SMILES for 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene is CCc1ccc(-c2c3ccccc3c(-c3ccc4c(c3)C(CC)(CC)c3cc(-c5c6ccccc6c(-c6c7ccccc7c(-c7ccc8c(c7)C(CC)(CC)c7ccccc7-8)c7ccccc67)c6ccccc56)ccc3-4)c3ccccc23)cc1.

What is the InChIKey of 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene?

The InChIKey is LKRQZKQEDUBMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H66/c1-6-52-39-41-53(42-40-52)77-61-26-11-13-28-63(61)78(64-29-14-12-27-62(64)77)55-44-47-59-60-48-45-56(51-76(60)84(9-4,10-5)75(59)50-55)80-67-32-17-21-36-71(67)82(72-37-22-18-33-68(72)80)81-69-34-19-15-30-65(69)79(66-31-16-20-35-70(66)81)54-43-46-58-57-25-23-24-38-73(57)83(7-2,8-3)74(58)49-54/h11-51H,6-10H2,1-5H3.

What are the key properties of 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene?

9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene has a molecular weight of 1075.45 g/mol, XLogP of 23.68, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[10-[9,9-diethyl-7-[10-(4-ethylphenyl)anthracen-9-yl]fluoren-2-yl]anthracen-9-yl]-10-(9,9-diethylfluoren-2-yl)anthracene is sourced from PubChem (CID 20821974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).