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

C26H14F2N6O2 — CID 163805723

IUPAC2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile
SMILESCOn1c(-c2ccccc2F)c2c(=C(C#N)C#N)n(OC)c(-c3ccccc3F)c2c1=C(C#N)C#N
InChIInChI=1S/C26H14F2N6O2/c1-35-33-23(15(11-29)12-30)21-22(25(33)17-7-3-5-9-19(17)27)24(16(13-31)14-32)34(36-2)26(21)18-8-4-6-10-20(18)28/h3-10H,1-2H3
InChIKeyNIWCTJFQLXQONX-UHFFFAOYSA-N
MW480.43 g/mol
LogP2.57
Rot. Bonds4

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

2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile (PubChem CID 163805723) has the molecular formula C26H14F2N6O2 and a molecular weight of 480.43 g/mol. Its IUPAC name is 2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile
PubChem CID163805723
Molecular FormulaC26H14F2N6O2
Molecular Weight480.43 g/mol
Exact Mass480.11
IUPAC Name2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile
SMILESCOn1c(-c2ccccc2F)c2c(=C(C#N)C#N)n(OC)c(-c3ccccc3F)c2c1=C(C#N)C#N
InChIInChI=1S/C26H14F2N6O2/c1-35-33-23(15(11-29)12-30)21-22(25(33)17-7-3-5-9-19(17)27)24(16(13-31)14-32)34(36-2)26(21)18-8-4-6-10-20(18)28/h3-10H,1-2H3
InChIKeyNIWCTJFQLXQONX-UHFFFAOYSA-N
XLogP2.57
TPSA123.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile?
The IUPAC name of 2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile (CID 163805723) is 2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile.
What is the SMILES notation for 2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile?
The canonical SMILES for 2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile is COn1c(-c2ccccc2F)c2c(=C(C#N)C#N)n(OC)c(-c3ccccc3F)c2c1=C(C#N)C#N.
What is the InChIKey of 2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile?
The InChIKey is NIWCTJFQLXQONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F2N6O2/c1-35-33-23(15(11-29)12-30)21-22(25(33)17-7-3-5-9-19(17)27)24(16(13-31)14-32)34(36-2)26(21)18-8-4-6-10-20(18)28/h3-10H,1-2H3.
What are the key properties of 2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile?
2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile has a molecular weight of 480.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dicyanomethylidene)-1,4-bis(2-fluorophenyl)-2,5-dimethoxypyrrolo[3,4-c]pyrrol-3-ylidene]propanedinitrile is sourced from PubChem (CID 163805723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).