2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)

C30H18N6O2 — CID 139146174

IUPAC2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)
SMILESN#CC(C#N)=c1ccc(=C(C#N)C#N)cc1.O=c1ccc2ccccc2[nH]1.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C12H4N4.2C9H7NO/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16;2*11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H;2*1-6H,(H,10,11)
InChIKeyLZNRVNKAWNSJNO-UHFFFAOYSA-N
MW494.51 g/mol
LogP3.14
Rot. Bonds

About 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)

2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one) (PubChem CID 139146174) has the molecular formula C30H18N6O2 and a molecular weight of 494.51 g/mol. Its IUPAC name is 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one).

Molecular Properties

Compound Name2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)
PubChem CID139146174
Molecular FormulaC30H18N6O2
Molecular Weight494.51 g/mol
Exact Mass494.15
IUPAC Name2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)
SMILESN#CC(C#N)=c1ccc(=C(C#N)C#N)cc1.O=c1ccc2ccccc2[nH]1.O=c1ccc2ccccc2[nH]1
InChIInChI=1S/C12H4N4.2C9H7NO/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16;2*11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H;2*1-6H,(H,10,11)
InChIKeyLZNRVNKAWNSJNO-UHFFFAOYSA-N
XLogP3.14
TPSA160.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one) with MolForge

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Related Compounds

CID 172719311
CID 172719311
neodymium;1H-quinolin-2-one
CID 175424246
hydrazine;1H-quinolin-2-one
CID 157180038
isocyanic acid;1H-quinolin-2-one
CID 176531100
acetic acid;1H-quinolin-2-one
CID 71436806
bicyclo[4.1.0]hepta-1,3,5-triene;1H-quinolin-2-one
CID 67171100
molecular hydrogen;propane;1H-quinolin-2-one
CID 142067755
2-aminoacetic acid;1H-quinolin-2-one
CID 159271091
2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;hexahelicene
CID 139203548
1H-benzo[g]quinolin-2-one
CID 19597016
1-chloropentane;1H-quinolin-2-one
CID 174326674
2-[(2-oxo-1H-quinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169340145

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)?
The IUPAC name of 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one) (CID 139146174) is 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one).
What is the SMILES notation for 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)?
The canonical SMILES for 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one) is N#CC(C#N)=c1ccc(=C(C#N)C#N)cc1.O=c1ccc2ccccc2[nH]1.O=c1ccc2ccccc2[nH]1.
What is the InChIKey of 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)?
The InChIKey is LZNRVNKAWNSJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4N4.2C9H7NO/c13-5-11(6-14)9-1-2-10(4-3-9)12(7-15)8-16;2*11-9-6-5-7-3-1-2-4-8(7)10-9/h1-4H;2*1-6H,(H,10,11).
What are the key properties of 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one)?
2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one) has a molecular weight of 494.51 g/mol, XLogP of 3.14, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dicyanomethylidene)cyclohexa-2,5-dien-1-ylidene]propanedinitrile;bis(1H-quinolin-2-one) is sourced from PubChem (CID 139146174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).