(10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide

C18H12N4 — CID 59582754

IUPAC(10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide
SMILESCCc1ccc2c(c1)/C(=N/C#N)c1ccccc1/C2=N\C#N
InChIInChI=1S/C18H12N4/c1-2-12-7-8-15-16(9-12)18(22-11-20)14-6-4-3-5-13(14)17(15)21-10-19/h3-9H,2H2,1H3/b21-17+,22-18+
InChIKeyZERDCPFVXHCZAU-KSTNYAOJSA-N
MW284.32 g/mol
LogP3.20
Rot. Bonds1

About (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide

(10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide (PubChem CID 59582754) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide.

Molecular Properties

Compound Name(10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide
PubChem CID59582754
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name(10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide
SMILESCCc1ccc2c(c1)/C(=N/C#N)c1ccccc1/C2=N\C#N
InChIInChI=1S/C18H12N4/c1-2-12-7-8-15-16(9-12)18(22-11-20)14-6-4-3-5-13(14)17(15)21-10-19/h3-9H,2H2,1H3/b21-17+,22-18+
InChIKeyZERDCPFVXHCZAU-KSTNYAOJSA-N
XLogP3.20
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide?
The IUPAC name of (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide (CID 59582754) is (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide.
What is the SMILES notation for (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide?
The canonical SMILES for (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide is CCc1ccc2c(c1)/C(=N/C#N)c1ccccc1/C2=N\C#N.
What is the InChIKey of (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide?
The InChIKey is ZERDCPFVXHCZAU-KSTNYAOJSA-N. The full InChI is InChI=1S/C18H12N4/c1-2-12-7-8-15-16(9-12)18(22-11-20)14-6-4-3-5-13(14)17(15)21-10-19/h3-9H,2H2,1H3/b21-17+,22-18+.
What are the key properties of (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide?
(10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide has a molecular weight of 284.32 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-cyanoimino-2-ethylanthracen-9-ylidene)cyanamide is sourced from PubChem (CID 59582754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).