2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile

C26H12F4N6 — CID 163919724

IUPAC2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile
SMILESCn1c(-c2cc(F)cc(F)c2)c2c(=C(C#N)C#N)n(C)c(-c3cc(F)cc(F)c3)c2c1=C(C#N)C#N
InChIInChI=1S/C26H12F4N6/c1-35-23(13-3-17(27)7-18(28)4-13)21-22(25(35)15(9-31)10-32)24(14-5-19(29)8-20(30)6-14)36(2)26(21)16(11-33)12-34/h3-8H,1-2H3
InChIKeyQZJPNCNLKDNJCT-UHFFFAOYSA-N
MW484.42 g/mol
LogP3.80
Rot. Bonds2

About 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile

2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile (PubChem CID 163919724) has the molecular formula C26H12F4N6 and a molecular weight of 484.42 g/mol. Its IUPAC name is 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile
PubChem CID163919724
Molecular FormulaC26H12F4N6
Molecular Weight484.42 g/mol
Exact Mass484.11
IUPAC Name2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile
SMILESCn1c(-c2cc(F)cc(F)c2)c2c(=C(C#N)C#N)n(C)c(-c3cc(F)cc(F)c3)c2c1=C(C#N)C#N
InChIInChI=1S/C26H12F4N6/c1-35-23(13-3-17(27)7-18(28)4-13)21-22(25(35)15(9-31)10-32)24(14-5-19(29)8-20(30)6-14)36(2)26(21)16(11-33)12-34/h3-8H,1-2H3
InChIKeyQZJPNCNLKDNJCT-UHFFFAOYSA-N
XLogP3.80
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.42
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[12-(dicyanomethylidene)-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]propanedinitrile
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2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile
CID 163805723
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CID 171734493
3-[5-(3,5-difluorophenyl)-3-formyl-4-methylpyrazol-1-yl]propanenitrile
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methyl 3-(5-ethyl-3-methylimidazol-4-yl)-5-fluorobenzoate
CID 164527687
4-chloro-5-(3,5-difluorophenyl)-1-methylpyrazole-3-carbaldehyde
CID 87538868
2-[2-(3,5-difluorophenyl)-1-methoxyethylidene]propanedinitrile
CID 71606426
3-(3,5-difluorophenyl)-4,6-dimethylpyridazine;ethane
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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile?
The IUPAC name of 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile (CID 163919724) is 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile.
What is the SMILES notation for 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile?
The canonical SMILES for 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile is Cn1c(-c2cc(F)cc(F)c2)c2c(=C(C#N)C#N)n(C)c(-c3cc(F)cc(F)c3)c2c1=C(C#N)C#N.
What is the InChIKey of 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile?
The InChIKey is QZJPNCNLKDNJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H12F4N6/c1-35-23(13-3-17(27)7-18(28)4-13)21-22(25(35)15(9-31)10-32)24(14-5-19(29)8-20(30)6-14)36(2)26(21)16(11-33)12-34/h3-8H,1-2H3.
What are the key properties of 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile?
2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile has a molecular weight of 484.42 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dicyanomethylidene)-1,4-bis(3,5-difluorophenyl)-2,5-dimethylpyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile is sourced from PubChem (CID 163919724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).