2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile

C26H4F8N4 — CID 139501524

IUPAC2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1C2=C(c3cc4c(cc31)C(=C(C#N)C#N)c1c(F)c(F)c(F)c(F)c1-4)C(F)C(F)C(F)=C2F
InChIInChI=1S/C26H4F8N4/c27-19-15-11-2-12-10(1-9(11)13(7(3-35)4-36)17(15)21(29)25(33)23(19)31)14(8(5-37)6-38)18-16(12)20(28)24(32)26(34)22(18)30/h1-2,19,23H
InChIKeyRVONHJGQVQRCEK-UHFFFAOYSA-N
MW524.33 g/mol
LogP6.48
Rot. Bonds

About 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile

2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile (PubChem CID 139501524) has the molecular formula C26H4F8N4 and a molecular weight of 524.33 g/mol. Its IUPAC name is 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile
PubChem CID139501524
Molecular FormulaC26H4F8N4
Molecular Weight524.33 g/mol
Exact Mass524.03
IUPAC Name2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile
SMILESN#CC(C#N)=C1C2=C(c3cc4c(cc31)C(=C(C#N)C#N)c1c(F)c(F)c(F)c(F)c1-4)C(F)C(F)C(F)=C2F
InChIInChI=1S/C26H4F8N4/c27-19-15-11-2-12-10(1-9(11)13(7(3-35)4-36)17(15)21(29)25(33)23(19)31)14(8(5-37)6-38)18-16(12)20(28)24(32)26(34)22(18)30/h1-2,19,23H
InChIKeyRVONHJGQVQRCEK-UHFFFAOYSA-N
XLogP6.48
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.33
LogP ≤ 56.48
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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile?
The IUPAC name of 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile (CID 139501524) is 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile.
What is the SMILES notation for 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile?
The canonical SMILES for 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile is N#CC(C#N)=C1C2=C(c3cc4c(cc31)C(=C(C#N)C#N)c1c(F)c(F)c(F)c(F)c1-4)C(F)C(F)C(F)=C2F.
What is the InChIKey of 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile?
The InChIKey is RVONHJGQVQRCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H4F8N4/c27-19-15-11-2-12-10(1-9(11)13(7(3-35)4-36)17(15)21(29)25(33)23(19)31)14(8(5-37)6-38)18-16(12)20(28)24(32)26(34)22(18)30/h1-2,19,23H.
What are the key properties of 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile?
2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile has a molecular weight of 524.33 g/mol, XLogP of 6.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(dicyanomethylidene)-1,2,3,4,6,7,8,9-octafluoro-3,4-dihydroindeno[2,1-b]fluoren-10-ylidene]propanedinitrile is sourced from PubChem (CID 139501524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).