anthracene-2,9-dicarbonitrile

C16H8N2 — CID 22395387

IUPACanthracene-2,9-dicarbonitrile
SMILESN#Cc1ccc2cc3ccccc3c(C#N)c2c1
InChIInChI=1S/C16H8N2/c17-9-11-5-6-13-8-12-3-1-2-4-14(12)16(10-18)15(13)7-11/h1-8H
InChIKeyHZHGVZRDEUNNHP-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.74
Rot. Bonds

About anthracene-2,9-dicarbonitrile

anthracene-2,9-dicarbonitrile (PubChem CID 22395387) has the molecular formula C16H8N2 and a molecular weight of 228.25 g/mol. Its IUPAC name is anthracene-2,9-dicarbonitrile.

Molecular Properties

Compound Nameanthracene-2,9-dicarbonitrile
PubChem CID22395387
Molecular FormulaC16H8N2
Molecular Weight228.25 g/mol
Exact Mass228.07
IUPAC Nameanthracene-2,9-dicarbonitrile
SMILESN#Cc1ccc2cc3ccccc3c(C#N)c2c1
InChIInChI=1S/C16H8N2/c17-9-11-5-6-13-8-12-3-1-2-4-14(12)16(10-18)15(13)7-11/h1-8H
InChIKeyHZHGVZRDEUNNHP-UHFFFAOYSA-N
XLogP3.74
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene-2,9-dicarbonitrile?
The IUPAC name of anthracene-2,9-dicarbonitrile (CID 22395387) is anthracene-2,9-dicarbonitrile.
What is the SMILES notation for anthracene-2,9-dicarbonitrile?
The canonical SMILES for anthracene-2,9-dicarbonitrile is N#Cc1ccc2cc3ccccc3c(C#N)c2c1.
What is the InChIKey of anthracene-2,9-dicarbonitrile?
The InChIKey is HZHGVZRDEUNNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2/c17-9-11-5-6-13-8-12-3-1-2-4-14(12)16(10-18)15(13)7-11/h1-8H.
What are the key properties of anthracene-2,9-dicarbonitrile?
anthracene-2,9-dicarbonitrile has a molecular weight of 228.25 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-2,9-dicarbonitrile is sourced from PubChem (CID 22395387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).