2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile

C21H10N4 — CID 89262869

IUPAC2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile
SMILESCc1ccc2c(c1)c(=C(C#N)C#N)c(=C(C#N)C#N)c1ccccc12
InChIInChI=1S/C21H10N4/c1-13-6-7-17-16-4-2-3-5-18(16)20(14(9-22)10-23)21(19(17)8-13)15(11-24)12-25/h2-8H,1H3
InChIKeyBZVZLHPHKXTEPS-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.70
Rot. Bonds

About 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile

2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile (PubChem CID 89262869) has the molecular formula C21H10N4 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile
PubChem CID89262869
Molecular FormulaC21H10N4
Molecular Weight318.34 g/mol
Exact Mass318.09
IUPAC Name2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile
SMILESCc1ccc2c(c1)c(=C(C#N)C#N)c(=C(C#N)C#N)c1ccccc12
InChIInChI=1S/C21H10N4/c1-13-6-7-17-16-4-2-3-5-18(16)20(14(9-22)10-23)21(19(17)8-13)15(11-24)12-25/h2-8H,1H3
InChIKeyBZVZLHPHKXTEPS-UHFFFAOYSA-N
XLogP2.70
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile?
The IUPAC name of 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile (CID 89262869) is 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile.
What is the SMILES notation for 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile?
The canonical SMILES for 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile is Cc1ccc2c(c1)c(=C(C#N)C#N)c(=C(C#N)C#N)c1ccccc12.
What is the InChIKey of 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile?
The InChIKey is BZVZLHPHKXTEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10N4/c1-13-6-7-17-16-4-2-3-5-18(16)20(14(9-22)10-23)21(19(17)8-13)15(11-24)12-25/h2-8H,1H3.
What are the key properties of 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile?
2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile has a molecular weight of 318.34 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(dicyanomethylidene)-2-methylphenanthren-9-ylidene]propanedinitrile is sourced from PubChem (CID 89262869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).