2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline

C52H50N2 — CID 91389501

IUPAC2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline
SMILESC=CC1=C(C=C)N(c2cccc3c2=CCCC=3C=Cc2ccc3c(c2)C2(CCCC2)c2cc(N4CCCC5=C4C=CCC5C)ccc2-3)c2ccccc2C1
InChIInChI=1S/C52H50N2/c1-4-37-33-39-15-6-7-20-49(39)54(48(37)5-2)51-22-12-17-42-38(16-11-18-45(42)51)25-23-36-24-27-43-44-28-26-40(34-47(44)52(46(43)32-36)29-8-9-30-52)53-31-13-19-41-35(3)14-10-21-50(41)53/h4-7,10,12,15,17-18,20-28,32,34-35H,1-2,8-9,11,13-14,16,19,29-31,33H2,3H3
InChIKeyQMRJRCYARHTISK-UHFFFAOYSA-N
MW702.99 g/mol
LogP11.74
Rot. Bonds6

About 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline

2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline (PubChem CID 91389501) has the molecular formula C52H50N2 and a molecular weight of 702.99 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline
PubChem CID91389501
Molecular FormulaC52H50N2
Molecular Weight702.99 g/mol
Exact Mass702.40
IUPAC Name2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline
SMILESC=CC1=C(C=C)N(c2cccc3c2=CCCC=3C=Cc2ccc3c(c2)C2(CCCC2)c2cc(N4CCCC5=C4C=CCC5C)ccc2-3)c2ccccc2C1
InChIInChI=1S/C52H50N2/c1-4-37-33-39-15-6-7-20-49(39)54(48(37)5-2)51-22-12-17-42-38(16-11-18-45(42)51)25-23-36-24-27-43-44-28-26-40(34-47(44)52(46(43)32-36)29-8-9-30-52)53-31-13-19-41-35(3)14-10-21-50(41)53/h4-7,10,12,15,17-18,20-28,32,34-35H,1-2,8-9,11,13-14,16,19,29-31,33H2,3H3
InChIKeyQMRJRCYARHTISK-UHFFFAOYSA-N
XLogP11.74
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.99
LogP ≤ 511.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline?
The IUPAC name of 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline (CID 91389501) is 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline.
What is the SMILES notation for 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline?
The canonical SMILES for 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline is C=CC1=C(C=C)N(c2cccc3c2=CCCC=3C=Cc2ccc3c(c2)C2(CCCC2)c2cc(N4CCCC5=C4C=CCC5C)ccc2-3)c2ccccc2C1.
What is the InChIKey of 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline?
The InChIKey is QMRJRCYARHTISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N2/c1-4-37-33-39-15-6-7-20-49(39)54(48(37)5-2)51-22-12-17-42-38(16-11-18-45(42)51)25-23-36-24-27-43-44-28-26-40(34-47(44)52(46(43)32-36)29-8-9-30-52)53-31-13-19-41-35(3)14-10-21-50(41)53/h4-7,10,12,15,17-18,20-28,32,34-35H,1-2,8-9,11,13-14,16,19,29-31,33H2,3H3.
What are the key properties of 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline?
2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline has a molecular weight of 702.99 g/mol, XLogP of 11.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline is sourced from PubChem (CID 91389501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).