10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]

C68H54N2 — CID 89110991

About 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]

10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane] (PubChem CID 89110991) has the molecular formula C68H54N2 and a molecular weight of 899.19 g/mol. Its IUPAC name is 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane].

Molecular Properties

• Compound Name: 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]
• PubChem CID: 89110991
• Molecular Formula: C68H54N2
• Molecular Weight: 899.19 g/mol
• Exact Mass: 898.43
• IUPAC Name: 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]
• SMILES: C1=CC2=C(CC1)C1(CCCC1)c1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5C5(CCCC5)c5ccccc54)ccc3c(-c3cccc4ccccc34)c2c1
• InChI: InChI=1S/C68H54N2/c1-3-23-49-45(19-1)21-17-25-51(49)65-53-37-35-48(70-63-33-11-7-29-59(63)68(41-15-16-42-68)60-30-8-12-34-64(60)70)44-56(53)66(52-26-18-22-46-20-2-4-24-50(46)52)54-38-36-47(43-55(54)65)69-61-31-9-5-27-57(61)67(39-13-14-40-67)58-28-6-10-32-62(58)69/h1-7,9-12,17-29,31-38,43-44H,8,13-16,30,39-42H2
• InChIKey: DUHYXRBAVFSMLX-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.19
LogP ≤ 5	18.84
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 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]?

The IUPAC name of 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane] (CID 89110991) is 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane].

What is the SMILES notation for 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]?

The canonical SMILES for 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane] is C1=CC2=C(CC1)C1(CCCC1)c1ccccc1N2c1ccc2c(-c3cccc4ccccc34)c3cc(N4c5ccccc5C5(CCCC5)c5ccccc54)ccc3c(-c3cccc4ccccc34)c2c1.

What is the InChIKey of 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]?

The InChIKey is DUHYXRBAVFSMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H54N2/c1-3-23-49-45(19-1)21-17-25-51(49)65-53-37-35-48(70-63-33-11-7-29-59(63)68(41-15-16-42-68)60-30-8-12-34-64(60)70)44-56(53)66(52-26-18-22-46-20-2-4-24-50(46)52)54-38-36-47(43-55(54)65)69-61-31-9-5-27-57(61)67(39-13-14-40-67)58-28-6-10-32-62(58)69/h1-7,9-12,17-29,31-38,43-44H,8,13-16,30,39-42H2.

What are the key properties of 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane]?

10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane] has a molecular weight of 899.19 g/mol, XLogP of 18.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(9,10-dinaphthalen-1-yl-6-spiro[1,2-dihydroacridine-9,1'-cyclopentane]-10-ylanthracen-2-yl)spiro[acridine-9,1'-cyclopentane] is sourced from PubChem (CID 89110991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).