(10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide

C18H12N4 — CID 625135

IUPAC(10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide
SMILESCc1cc2c(cc1C)/C(=N/C#N)c1ccccc1/C2=N\C#N
InChIInChI=1S/C18H12N4/c1-11-7-15-16(8-12(11)2)18(22-10-20)14-6-4-3-5-13(14)17(15)21-9-19/h3-8H,1-2H3/b21-17+,22-18+
InChIKeyOSHYODJQTSZUFU-KSTNYAOJSA-N
MW284.32 g/mol
LogP3.25
Rot. Bonds

About (10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide

(10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide (PubChem CID 625135) has the molecular formula C18H12N4 and a molecular weight of 284.32 g/mol. Its IUPAC name is (10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide.

Molecular Properties

Compound Name(10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide
PubChem CID625135
Molecular FormulaC18H12N4
Molecular Weight284.32 g/mol
Exact Mass284.11
IUPAC Name(10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide
SMILESCc1cc2c(cc1C)/C(=N/C#N)c1ccccc1/C2=N\C#N
InChIInChI=1S/C18H12N4/c1-11-7-15-16(8-12(11)2)18(22-10-20)14-6-4-3-5-13(14)17(15)21-9-19/h3-8H,1-2H3/b21-17+,22-18+
InChIKeyOSHYODJQTSZUFU-KSTNYAOJSA-N
XLogP3.25
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.25
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-2,3-dimethylanthracen-9-ylidene)cyanamide?
The IUPAC name of (10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide (CID 625135) is (10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide.
What is the SMILES notation for (10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide?
The canonical SMILES for (10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide is Cc1cc2c(cc1C)/C(=N/C#N)c1ccccc1/C2=N\C#N.
What is the InChIKey of (10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide?
The InChIKey is OSHYODJQTSZUFU-KSTNYAOJSA-N. The full InChI is InChI=1S/C18H12N4/c1-11-7-15-16(8-12(11)2)18(22-10-20)14-6-4-3-5-13(14)17(15)21-9-19/h3-8H,1-2H3/b21-17+,22-18+.
What are the key properties of (10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide?
(10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide has a molecular weight of 284.32 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-cyanoimino-2,3-dimethylanthracen-9-ylidene)cyanamide is sourced from PubChem (CID 625135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).