2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile

C30H18N4 — CID 88955320

IUPAC2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile
SMILESCc1ccc2c(c1)C(=C(C#N)C#N)c1c(C)c3c(c(C)c1-2)C(=C(C#N)C#N)c1cc(C)ccc1-3
InChIInChI=1S/C30H18N4/c1-15-5-7-21-23(9-15)29(19(11-31)12-32)27-18(4)26-22-8-6-16(2)10-24(22)30(20(13-33)14-34)28(26)17(3)25(21)27/h5-10H,1-4H3
InChIKeyJKKUEWFCFPNZDO-UHFFFAOYSA-N
MW434.50 g/mol
LogP6.58
Rot. Bonds

About 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile

2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile (PubChem CID 88955320) has the molecular formula C30H18N4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile
PubChem CID88955320
Molecular FormulaC30H18N4
Molecular Weight434.50 g/mol
Exact Mass434.15
IUPAC Name2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile
SMILESCc1ccc2c(c1)C(=C(C#N)C#N)c1c(C)c3c(c(C)c1-2)C(=C(C#N)C#N)c1cc(C)ccc1-3
InChIInChI=1S/C30H18N4/c1-15-5-7-21-23(9-15)29(19(11-31)12-32)27-18(4)26-22-8-6-16(2)10-24(22)30(20(13-33)14-34)28(26)17(3)25(21)27/h5-10H,1-4H3
InChIKeyJKKUEWFCFPNZDO-UHFFFAOYSA-N
XLogP6.58
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 56.58
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile?
The IUPAC name of 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile (CID 88955320) is 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile.
What is the SMILES notation for 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile?
The canonical SMILES for 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile is Cc1ccc2c(c1)C(=C(C#N)C#N)c1c(C)c3c(c(C)c1-2)C(=C(C#N)C#N)c1cc(C)ccc1-3.
What is the InChIKey of 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile?
The InChIKey is JKKUEWFCFPNZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N4/c1-15-5-7-21-23(9-15)29(19(11-31)12-32)27-18(4)26-22-8-6-16(2)10-24(22)30(20(13-33)14-34)28(26)17(3)25(21)27/h5-10H,1-4H3.
What are the key properties of 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile?
2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile has a molecular weight of 434.50 g/mol, XLogP of 6.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[12-(dicyanomethylidene)-2,5,8,11-tetramethylindeno[1,2-b]fluoren-6-ylidene]propanedinitrile is sourced from PubChem (CID 88955320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).