2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

C26H24N4 — CID 177470554

IUPAC2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESCCCCN1/C(=C/C(C#N)=c2ccc(=C(C#N)C#N)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C26H24N4/c1-4-5-14-30-24-9-7-6-8-23(24)26(2,3)25(30)15-21(16-27)19-10-12-20(13-11-19)22(17-28)18-29/h6-13,15H,4-5,14H2,1-3H3/b25-15+
InChIKeyZOEIRFKGLGOUBO-MFKUBSTISA-N
MW392.51 g/mol
LogP4.04
Rot. Bonds4

About 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile

2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile (PubChem CID 177470554) has the molecular formula C26H24N4 and a molecular weight of 392.51 g/mol. Its IUPAC name is 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
PubChem CID177470554
Molecular FormulaC26H24N4
Molecular Weight392.51 g/mol
Exact Mass392.20
IUPAC Name2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
SMILESCCCCN1/C(=C/C(C#N)=c2ccc(=C(C#N)C#N)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C26H24N4/c1-4-5-14-30-24-9-7-6-8-23(24)26(2,3)25(30)15-21(16-27)19-10-12-20(13-11-19)22(17-28)18-29/h6-13,15H,4-5,14H2,1-3H3/b25-15+
InChIKeyZOEIRFKGLGOUBO-MFKUBSTISA-N
XLogP4.04
TPSA74.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-bis[(E)-(3,3-dimethyl-1-octadecylindol-2-ylidene)methyl]cyclobutane-1,3-dione
CID 177396907
2-[4-[(2Z)-1-cyano-2-(1-hexadecylquinolin-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile
CID 177444113
4-[(2Z)-2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 177410976
[(2E,5E)-2,5-bis[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]cyclopentylidene]-diphenylazanium
CID 59429078
(2E)-1-butyl-2-[(E)-3-(1-butyl-3,3-dimethyl-2H-indol-2-yl)prop-2-enylidene]-3,3-dimethylindole
CID 58898863
2-[(2Z)-2-[[(4aR)-9-butyl-4a-methyl-3,4-dihydro-2H-carbazol-1-yl]methylidene]-3-oxoinden-1-ylidene]propanedinitrile
CID 121399510
8-[2-(1-butyl-3,3-dimethylindol-2-ylidene)ethylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione
CID 123956019
(2E,4E)-5-(9-butyl-4a-methyl-3,4-dihydro-2H-carbazol-1-yl)-2-isocyano-3-phenylpenta-2,4-dienenitrile
CID 123469260
N-[4-[(2Z,4Z,6E,8E)-8-(1-butyl-3,3-dimethylindol-2-ylidene)-2,4-dicyanoocta-2,4,6-trien-3-yl]phenyl]methanesulfonamide
CID 59042739
2-[3-oxo-2,4-bis[(Z)-(1,3,3-trimethylindol-2-ylidene)methyl]cyclobutylidene]propanedinitrile
CID 139242461
(2Z)-2-[(2Z,4E)-3-bromo-7-methyl-6-methylidene-7-(2-methylphenyl)octa-2,4-dienylidene]-1-butyl-3,3-dimethylindole
CID 122536647
2,5-bis[4-(3,3-dimethyl-1-pentylindol-2-ylidene)but-2-enylidene]cyclopentan-1-one
CID 58700813

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The IUPAC name of 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile (CID 177470554) is 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile.
What is the SMILES notation for 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The canonical SMILES for 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile is CCCCN1/C(=C/C(C#N)=c2ccc(=C(C#N)C#N)cc2)C(C)(C)c2ccccc21.
What is the InChIKey of 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
The InChIKey is ZOEIRFKGLGOUBO-MFKUBSTISA-N. The full InChI is InChI=1S/C26H24N4/c1-4-5-14-30-24-9-7-6-8-23(24)26(2,3)25(30)15-21(16-27)19-10-12-20(13-11-19)22(17-28)18-29/h6-13,15H,4-5,14H2,1-3H3/b25-15+.
What are the key properties of 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile?
2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile has a molecular weight of 392.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2E)-2-(1-butyl-3,3-dimethylindol-2-ylidene)-1-cyanoethylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile is sourced from PubChem (CID 177470554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).