11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine

C61H52N2 — CID 89071992

About 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine

11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine (PubChem CID 89071992) has the molecular formula C61H52N2 and a molecular weight of 813.10 g/mol. Its IUPAC name is 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine.

Molecular Properties

• Compound Name: 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine
• PubChem CID: 89071992
• Molecular Formula: C61H52N2
• Molecular Weight: 813.10 g/mol
• Exact Mass: 812.41
• IUPAC Name: 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine
• SMILES: CC1(C)c2cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5C6=C(C=CCC6)C=Cc6ccccc65)ccc3-4)ccc2-c2ccc(N3CCCC4=C3CCC=C4)cc21
• InChI: InChI=1S/C61H52N2/c1-60(2)53-34-40(23-29-49(53)50-31-27-47(36-54(50)60)62-33-11-17-42-12-5-8-18-57(42)62)21-22-41-24-30-51-52-32-28-48(37-56(52)61(55(51)35-41)38-45-15-3-4-16-46(45)39-61)63-58-19-9-6-13-43(58)25-26-44-14-7-10-20-59(44)63/h3-7,9,12-16,19,21-32,34-37H,8,10-11,17-18,20,33,38-39H2,1-2H3/b22-21+
• InChIKey: YCQMCGVAUSLYAL-QURGRASLSA-N
• XLogP: 15.20
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.10
LogP ≤ 5	15.20
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 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine?

The IUPAC name of 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine (CID 89071992) is 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine.

What is the SMILES notation for 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine?

The canonical SMILES for 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C3(Cc5ccccc5C3)c3cc(N5C6=C(C=CCC6)C=Cc6ccccc65)ccc3-4)ccc2-c2ccc(N3CCCC4=C3CCC=C4)cc21.

What is the InChIKey of 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine?

The InChIKey is YCQMCGVAUSLYAL-QURGRASLSA-N. The full InChI is InChI=1S/C61H52N2/c1-60(2)53-34-40(23-29-49(53)50-31-27-47(36-54(50)60)62-33-11-17-42-12-5-8-18-57(42)62)21-22-41-24-30-51-52-32-28-48(37-56(52)61(55(51)35-41)38-45-15-3-4-16-46(45)39-61)63-58-19-9-6-13-43(58)25-26-44-14-7-10-20-59(44)63/h3-7,9,12-16,19,21-32,34-37H,8,10-11,17-18,20,33,38-39H2,1-2H3/b22-21+.

What are the key properties of 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine?

11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine has a molecular weight of 813.10 g/mol, XLogP of 15.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[7'-[(E)-2-[9,9-dimethyl-7-(3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9,10-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 89071992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).