2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile

C32H12F6N4 — CID 146535236

IUPAC2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2cc(-c3ccc(C#N)c(C(F)(F)F)c3)ccc2-c2ccc(-c3ccc(C#N)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C32H12F6N4/c33-31(34,35)28-11-19(1-3-21(28)13-39)17-5-7-24-25-8-6-18(10-27(25)30(26(24)9-17)23(15-41)16-42)20-2-4-22(14-40)29(12-20)32(36,37)38/h1-12H
InChIKeyDFXGLQJANUYYOQ-UHFFFAOYSA-N
MW566.46 g/mol
LogP8.63
Rot. Bonds2

About 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile

2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile (PubChem CID 146535236) has the molecular formula C32H12F6N4 and a molecular weight of 566.46 g/mol. Its IUPAC name is 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile
PubChem CID146535236
Molecular FormulaC32H12F6N4
Molecular Weight566.46 g/mol
Exact Mass566.10
IUPAC Name2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1c2cc(-c3ccc(C#N)c(C(F)(F)F)c3)ccc2-c2ccc(-c3ccc(C#N)c(C(F)(F)F)c3)cc21
InChIInChI=1S/C32H12F6N4/c33-31(34,35)28-11-19(1-3-21(28)13-39)17-5-7-24-25-8-6-18(10-27(25)30(26(24)9-17)23(15-41)16-42)20-2-4-22(14-40)29(12-20)32(36,37)38/h1-12H
InChIKeyDFXGLQJANUYYOQ-UHFFFAOYSA-N
XLogP8.63
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.46
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,4-bis(trifluoromethyl)phenyl]-6-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-bis(dicyanomethylidene)-s-indacene-1,7-dicarbonitrile
CID 167125320
2,6-bis[4-cyano-3-(trifluoromethyl)phenyl]-3,5-bis(dicyanomethylidene)-8-fluoro-s-indacene-1,7-dicarbonitrile
CID 167122219
2-[12-(dicyanomethylidene)-2,8-bis[3-(trifluoromethyl)phenyl]indeno[1,2-b]fluoren-6-ylidene]propanedinitrile
CID 88881721
2-[3-cyano-4-(trifluoromethoxy)phenyl]-6-[4-cyano-3-(trifluoromethyl)phenyl]-3,7-bis(dicyanomethylidene)-s-indacene-1,5-dicarbonitrile
CID 167122131
2-[3-cyano-4-(trifluoromethoxy)phenyl]-6-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-bis(dicyanomethylidene)-s-indacene-1,7-dicarbonitrile
CID 167122080
10,12-bis(dicyanomethylidene)-2,8-bis(trifluoromethyl)indeno[2,1-b]fluorene-1,7-dicarbonitrile
CID 90206157
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-cyano-3-(trifluoromethyl)phenyl]-3,5-bis(dicyanomethylidene)-4,8-difluoro-s-indacene-1,7-dicarbonitrile
CID 167122222
2-[3-cyano-4-(trifluoromethyl)phenyl]-3,5-bis(dicyanomethylidene)-6-(3,4-dicyanophenyl)-s-indacene-1,7-dicarbonitrile
CID 167122083
2-[12-(dicyanomethylidene)-2,8-bis(3,5-difluorophenyl)indeno[1,2-b]fluoren-6-ylidene]propanedinitrile
CID 88881733
4-[[2,3-bis[cyano-[4-cyano-3-(trifluoromethyl)phenyl]methylidene]cyclopropylidene]-cyanomethyl]-2-(trifluoromethyl)benzonitrile
CID 162523472
4-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-(trifluoromethyl)benzonitrile
CID 142273504
ethane;4-[3-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-(trifluoromethyl)benzonitrile
CID 142273503

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile?
The IUPAC name of 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile (CID 146535236) is 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile.
What is the SMILES notation for 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile?
The canonical SMILES for 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile is N#CC(C#N)=C1c2cc(-c3ccc(C#N)c(C(F)(F)F)c3)ccc2-c2ccc(-c3ccc(C#N)c(C(F)(F)F)c3)cc21.
What is the InChIKey of 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile?
The InChIKey is DFXGLQJANUYYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12F6N4/c33-31(34,35)28-11-19(1-3-21(28)13-39)17-5-7-24-25-8-6-18(10-27(25)30(26(24)9-17)23(15-41)16-42)20-2-4-22(14-40)29(12-20)32(36,37)38/h1-12H.
What are the key properties of 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile?
2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile has a molecular weight of 566.46 g/mol, XLogP of 8.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis[4-cyano-3-(trifluoromethyl)phenyl]fluoren-9-ylidene]propanedinitrile is sourced from PubChem (CID 146535236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).