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

C43H40N2 — CID 89071564

IUPAC1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
SMILESC(=C/c1ccc2c(c1)C1(CCCC1)c1cc(N3CCCc4ccccc43)ccc1-2)\c1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C43H40N2/c1-3-13-41-33(9-1)11-7-27-44(41)35-20-17-31(18-21-35)15-16-32-19-23-37-38-24-22-36(45-28-8-12-34-10-2-4-14-42(34)45)30-40(38)43(39(37)29-32)25-5-6-26-43/h1-4,9-10,13-24,29-30H,5-8,11-12,25-28H2/b16-15+
InChIKeyDIMVJTKEOXQUFO-FOCLMDBBSA-N
MW584.81 g/mol
LogP10.87
Rot. Bonds4

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

1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline (PubChem CID 89071564) has the molecular formula C43H40N2 and a molecular weight of 584.81 g/mol. Its IUPAC name is 1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
PubChem CID89071564
Molecular FormulaC43H40N2
Molecular Weight584.81 g/mol
Exact Mass584.32
IUPAC Name1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
SMILESC(=C/c1ccc2c(c1)C1(CCCC1)c1cc(N3CCCc4ccccc43)ccc1-2)\c1ccc(N2CCCc3ccccc32)cc1
InChIInChI=1S/C43H40N2/c1-3-13-41-33(9-1)11-7-27-44(41)35-20-17-31(18-21-35)15-16-32-19-23-37-38-24-22-36(45-28-8-12-34-10-2-4-14-42(34)45)30-40(38)43(39(37)29-32)25-5-6-26-43/h1-4,9-10,13-24,29-30H,5-8,11-12,25-28H2/b16-15+
InChIKeyDIMVJTKEOXQUFO-FOCLMDBBSA-N
XLogP10.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.81
LogP ≤ 510.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline (CID 89071564) is 1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline is C(=C/c1ccc2c(c1)C1(CCCC1)c1cc(N3CCCc4ccccc43)ccc1-2)\c1ccc(N2CCCc3ccccc32)cc1.
What is the InChIKey of 1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is DIMVJTKEOXQUFO-FOCLMDBBSA-N. The full InChI is InChI=1S/C43H40N2/c1-3-13-41-33(9-1)11-7-27-44(41)35-20-17-31(18-21-35)15-16-32-19-23-37-38-24-22-36(45-28-8-12-34-10-2-4-14-42(34)45)30-40(38)43(39(37)29-32)25-5-6-26-43/h1-4,9-10,13-24,29-30H,5-8,11-12,25-28H2/b16-15+.
What are the key properties of 1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline?
1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 584.81 g/mol, XLogP of 10.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 89071564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).