10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine

C65H52N2 — CID 89070944

About 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine

10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine (PubChem CID 89070944) has the molecular formula C65H52N2 and a molecular weight of 861.14 g/mol. Its IUPAC name is 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine.

Molecular Properties

• Compound Name: 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine
• PubChem CID: 89070944
• Molecular Formula: C65H52N2
• Molecular Weight: 861.14 g/mol
• Exact Mass: 860.41
• IUPAC Name: 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine
• SMILES: Cc1cc(/C=C/c2ccc3c(c2)C(C)(C)c2cc(N4CCCc5ccccc54)ccc2-3)cc2c1-c1ccc(N3C4=C(C=CCC4)Cc4ccccc43)cc1C21c2ccccc2-c2ccccc21
• InChI: InChI=1S/C65H52N2/c1-41-35-43(27-26-42-28-31-51-52-32-29-47(39-57(52)64(2,3)56(51)36-42)66-34-14-18-44-15-4-11-23-60(44)66)37-59-63(41)53-33-30-48(67-61-24-12-5-16-45(61)38-46-17-6-13-25-62(46)67)40-58(53)65(59)54-21-9-7-19-49(54)50-20-8-10-22-55(50)65/h4-12,15-17,19-24,26-33,35-37,39-40H,13-14,18,25,34,38H2,1-3H3/b27-26+
• InChIKey: CPKBVSNLZXPSRQ-CYYJNZCTSA-N
• XLogP: 16.20
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	861.14
LogP ≤ 5	16.20
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-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine?

The IUPAC name of 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine (CID 89070944) is 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine.

What is the SMILES notation for 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine?

The canonical SMILES for 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine is Cc1cc(/C=C/c2ccc3c(c2)C(C)(C)c2cc(N4CCCc5ccccc54)ccc2-3)cc2c1-c1ccc(N3C4=C(C=CCC4)Cc4ccccc43)cc1C21c2ccccc2-c2ccccc21.

What is the InChIKey of 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine?

The InChIKey is CPKBVSNLZXPSRQ-CYYJNZCTSA-N. The full InChI is InChI=1S/C65H52N2/c1-41-35-43(27-26-42-28-31-51-52-32-29-47(39-57(52)64(2,3)56(51)36-42)66-34-14-18-44-15-4-11-23-60(44)66)37-59-63(41)53-33-30-48(67-61-24-12-5-16-45(61)38-46-17-6-13-25-62(46)67)40-58(53)65(59)54-21-9-7-19-49(54)50-20-8-10-22-55(50)65/h4-12,15-17,19-24,26-33,35-37,39-40H,13-14,18,25,34,38H2,1-3H3/b27-26+.

What are the key properties of 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine?

10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine has a molecular weight of 861.14 g/mol, XLogP of 16.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine is sourced from PubChem (CID 89070944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).