5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline

C74H68N2 — CID 89071414

About 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline

5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline (PubChem CID 89071414) has the molecular formula C74H68N2 and a molecular weight of 985.37 g/mol. Its IUPAC name is 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline.

Molecular Properties

• Compound Name: 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline
• PubChem CID: 89071414
• Molecular Formula: C74H68N2
• Molecular Weight: 985.37 g/mol
• Exact Mass: 984.54
• IUPAC Name: 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline
• SMILES: C=CC1=C(/C=C\C)C(C)(C)c2ccccc2N1C1=CC2C(C=C1)c1ccc(/C=C/c3ccc4c(c3)C3(C5=C(CCC=C5)c5ccccc53)c3cc(N5C6=C(CC=CCC6)C(C)(C)c6ccccc65)ccc3-4)cc1C2(C)C
• InChI: InChI=1S/C74H68N2/c1-9-22-59-67(10-2)75(68-31-20-18-28-61(68)71(59,3)4)49-37-41-54-53-39-35-47(43-63(53)73(7,8)64(54)45-49)33-34-48-36-40-55-56-42-38-50(76-69-30-13-11-12-27-60(69)72(5,6)62-29-19-21-32-70(62)76)46-66(56)74(65(55)44-48)57-25-16-14-23-51(57)52-24-15-17-26-58(52)74/h9-12,14,16-23,25-26,28-29,31-46,54,64H,2,13,15,24,27,30H2,1,3-8H3/b22-9-,34-33+
• InChIKey: PBNASEWTJOMGPF-FSWGDHKBSA-N
• XLogP: 18.97
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.37
LogP ≤ 5	18.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline?

The IUPAC name of 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline (CID 89071414) is 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline.

What is the SMILES notation for 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline?

The canonical SMILES for 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline is C=CC1=C(/C=C\C)C(C)(C)c2ccccc2N1C1=CC2C(C=C1)c1ccc(/C=C/c3ccc4c(c3)C3(C5=C(CCC=C5)c5ccccc53)c3cc(N5C6=C(CC=CCC6)C(C)(C)c6ccccc65)ccc3-4)cc1C2(C)C.

What is the InChIKey of 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline?

The InChIKey is PBNASEWTJOMGPF-FSWGDHKBSA-N. The full InChI is InChI=1S/C74H68N2/c1-9-22-59-67(10-2)75(68-31-20-18-28-61(68)71(59,3)4)49-37-41-54-53-39-35-47(43-63(53)73(7,8)64(54)45-49)33-34-48-36-40-55-56-42-38-50(76-69-30-13-11-12-27-60(69)72(5,6)62-29-19-21-32-70(62)76)46-66(56)74(65(55)44-48)57-25-16-14-23-51(57)52-24-15-17-26-58(52)74/h9-12,14,16-23,25-26,28-29,31-46,54,64H,2,13,15,24,27,30H2,1,3-8H3/b22-9-,34-33+.

What are the key properties of 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline?

5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline has a molecular weight of 985.37 g/mol, XLogP of 18.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7'-[(E)-2-[7-[2-ethenyl-4,4-dimethyl-3-[(Z)-prop-1-enyl]quinolin-1-yl]-9,9-dimethyl-4b,8a-dihydrofluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-11,11-dimethyl-7,10-dihydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 89071414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).