10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine

C55H48N2 — CID 89071707

About 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine

10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine (PubChem CID 89071707) has the molecular formula C55H48N2 and a molecular weight of 737.00 g/mol. Its IUPAC name is 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine.

Molecular Properties

• Compound Name: 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine
• PubChem CID: 89071707
• Molecular Formula: C55H48N2
• Molecular Weight: 737.00 g/mol
• Exact Mass: 736.38
• IUPAC Name: 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine
• SMILES: CC1(C)c2ccccc2N(c2ccc(-c3ccc(/C=C/c4ccc5c(c4)C4(CCCC4)c4cc(N6CCCc7ccccc76)ccc4-5)cc3)cc2)c2ccccc21
• InChI: InChI=1S/C55H48N2/c1-54(2)47-14-4-7-17-52(47)57(53-18-8-5-15-48(53)54)43-28-26-41(27-29-43)40-24-21-38(22-25-40)19-20-39-23-31-45-46-32-30-44(56-35-11-13-42-12-3-6-16-51(42)56)37-50(46)55(49(45)36-39)33-9-10-34-55/h3-8,12,14-32,36-37H,9-11,13,33-35H2,1-2H3/b20-19+
• InChIKey: NWVBZLYGFOWSRA-FMQUCBEESA-N
• XLogP: 14.56
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.00
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine?

The IUPAC name of 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine (CID 89071707) is 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine.

What is the SMILES notation for 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine?

The canonical SMILES for 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2ccc(-c3ccc(/C=C/c4ccc5c(c4)C4(CCCC4)c4cc(N6CCCc7ccccc76)ccc4-5)cc3)cc2)c2ccccc21.

What is the InChIKey of 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine?

The InChIKey is NWVBZLYGFOWSRA-FMQUCBEESA-N. The full InChI is InChI=1S/C55H48N2/c1-54(2)47-14-4-7-17-52(47)57(53-18-8-5-15-48(53)54)43-28-26-41(27-29-43)40-24-21-38(22-25-40)19-20-39-23-31-45-46-32-30-44(56-35-11-13-42-12-3-6-16-51(42)56)37-50(46)55(49(45)36-39)33-9-10-34-55/h3-8,12,14-32,36-37H,9-11,13,33-35H2,1-2H3/b20-19+.

What are the key properties of 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine?

10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine has a molecular weight of 737.00 g/mol, XLogP of 14.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine is sourced from PubChem (CID 89071707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).