1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline

C56H52N2 — CID 89070846

IUPAC1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline
SMILESCC1(C)c2cc(/C=C/C3C=C4C(=CC3)c3ccc(N5CCCC6=C5C=CCC6)cc3C43Cc4ccccc4C3)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C56H52N2/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/h3-5,7-8,11,13-14,17-21,23-28,31-34,38H,6,9-10,12,15-16,22,29-30,35-36H2,1-2H3/b20-19+
InChIKeyXDDQLWJGCWMAGF-FMQUCBEESA-N
MW753.05 g/mol
LogP13.37
Rot. Bonds4

About 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline

1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 89070846) has the molecular formula C56H52N2 and a molecular weight of 753.05 g/mol. Its IUPAC name is 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline
PubChem CID89070846
Molecular FormulaC56H52N2
Molecular Weight753.05 g/mol
Exact Mass752.41
IUPAC Name1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline
SMILESCC1(C)c2cc(/C=C/C3C=C4C(=CC3)c3ccc(N5CCCC6=C5C=CCC6)cc3C43Cc4ccccc4C3)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C56H52N2/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/h3-5,7-8,11,13-14,17-21,23-28,31-34,38H,6,9-10,12,15-16,22,29-30,35-36H2,1-2H3/b20-19+
InChIKeyXDDQLWJGCWMAGF-FMQUCBEESA-N
XLogP13.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.05
LogP ≤ 513.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline (CID 89070846) is 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline is CC1(C)c2cc(/C=C/C3C=C4C(=CC3)c3ccc(N5CCCC6=C5C=CCC6)cc3C43Cc4ccccc4C3)ccc2-c2ccc(N3CCCc4ccccc43)cc21.
What is the InChIKey of 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is XDDQLWJGCWMAGF-FMQUCBEESA-N. The full InChI is InChI=1S/C56H52N2/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/h3-5,7-8,11,13-14,17-21,23-28,31-34,38H,6,9-10,12,15-16,22,29-30,35-36H2,1-2H3/b20-19+.
What are the key properties of 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline?
1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 753.05 g/mol, XLogP of 13.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,9-dimethyl-7-[(E)-2-[7'-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-2,3-dihydrofluorene]-2'-yl]ethenyl]fluoren-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 89070846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).