1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline

C56H48N2 — CID 90809411

About 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline

1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline (PubChem CID 90809411) has the molecular formula C56H48N2 and a molecular weight of 749.01 g/mol. Its IUPAC name is 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
• PubChem CID: 90809411
• Molecular Formula: C56H48N2
• Molecular Weight: 749.01 g/mol
• Exact Mass: 748.38
• IUPAC Name: 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
• SMILES: CC1(C)c2cc(C=Cc3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5CCCc6ccccc65)ccc3-4)ccc2-c2ccc(N3CCCc4ccccc43)cc21
• InChI: InChI=1S/C56H48N2/c1-55(2)49-31-37(21-25-45(49)46-27-23-43(33-50(46)55)57-29-9-15-39-11-5-7-17-53(39)57)19-20-38-22-26-47-48-28-24-44(58-30-10-16-40-12-6-8-18-54(40)58)34-52(48)56(51(47)32-38)35-41-13-3-4-14-42(41)36-56/h3-8,11-14,17-28,31-34H,9-10,15-16,29-30,35-36H2,1-2H3
• InChIKey: LNGXQBVXLSHHGR-UHFFFAOYSA-N
• XLogP: 13.40
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	749.01
LogP ≤ 5	13.40
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 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline (CID 90809411) is 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline is CC1(C)c2cc(C=Cc3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5CCCc6ccccc65)ccc3-4)ccc2-c2ccc(N3CCCc4ccccc43)cc21.

What is the InChIKey of 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?

The InChIKey is LNGXQBVXLSHHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N2/c1-55(2)49-31-37(21-25-45(49)46-27-23-43(33-50(46)55)57-29-9-15-39-11-5-7-17-53(39)57)19-20-38-22-26-47-48-28-24-44(58-30-10-16-40-12-6-8-18-54(40)58)34-52(48)56(51(47)32-38)35-41-13-3-4-14-42(41)36-56/h3-8,11-14,17-28,31-34H,9-10,15-16,29-30,35-36H2,1-2H3.

What are the key properties of 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?

1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 749.01 g/mol, XLogP of 13.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 90809411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).