2,6-diiodoanthracene-9,10-dicarbonitrile

C16H6I2N2 — CID 132838305

IUPAC2,6-diiodoanthracene-9,10-dicarbonitrile
SMILESN#Cc1c2ccc(I)cc2c(C#N)c2ccc(I)cc12
InChIInChI=1S/C16H6I2N2/c17-9-1-3-11-13(5-9)16(8-20)12-4-2-10(18)6-14(12)15(11)7-19/h1-6H
InChIKeyRNVVOPMHPZOROT-UHFFFAOYSA-N
MW480.05 g/mol
LogP4.95
Rot. Bonds

About 2,6-diiodoanthracene-9,10-dicarbonitrile

2,6-diiodoanthracene-9,10-dicarbonitrile (PubChem CID 132838305) has the molecular formula C16H6I2N2 and a molecular weight of 480.05 g/mol. Its IUPAC name is 2,6-diiodoanthracene-9,10-dicarbonitrile.

Molecular Properties

Compound Name2,6-diiodoanthracene-9,10-dicarbonitrile
PubChem CID132838305
Molecular FormulaC16H6I2N2
Molecular Weight480.05 g/mol
Exact Mass479.86
IUPAC Name2,6-diiodoanthracene-9,10-dicarbonitrile
SMILESN#Cc1c2ccc(I)cc2c(C#N)c2ccc(I)cc12
InChIInChI=1S/C16H6I2N2/c17-9-1-3-11-13(5-9)16(8-20)12-4-2-10(18)6-14(12)15(11)7-19/h1-6H
InChIKeyRNVVOPMHPZOROT-UHFFFAOYSA-N
XLogP4.95
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.05
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-trimethylnaphthalene-1,4-dicarbonitrile
CID 101223785
2,4-diiodobenzonitrile
CID 11199048
10-bromoanthracene-9-carbonitrile
CID 11543731
6-iodo-1-benzofuran-3-carbonitrile
CID 67324697
2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
CID 142090428
2,6-difluoro-4-iodobenzonitrile
CID 19023068
15-iodo-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13(18),14,16-nonaene-5,10-dicarbonitrile
CID 134450418
10-methylanthracene-9-carbonitrile
CID 12617916
6-iodo-4-(2,2,2-trifluoroethoxy)quinoline-3-carbonitrile
CID 58585769
5-iodo-2-(trifluoromethyl)benzonitrile
CID 66762150
10-(2-trimethylsilylethynyl)anthracene-9-carbonitrile
CID 86230221
2-fluoro-4,6-diiodobenzonitrile
CID 118997099

Frequently Asked Questions

What is the IUPAC name of 2,6-diiodoanthracene-9,10-dicarbonitrile?
The IUPAC name of 2,6-diiodoanthracene-9,10-dicarbonitrile (CID 132838305) is 2,6-diiodoanthracene-9,10-dicarbonitrile.
What is the SMILES notation for 2,6-diiodoanthracene-9,10-dicarbonitrile?
The canonical SMILES for 2,6-diiodoanthracene-9,10-dicarbonitrile is N#Cc1c2ccc(I)cc2c(C#N)c2ccc(I)cc12.
What is the InChIKey of 2,6-diiodoanthracene-9,10-dicarbonitrile?
The InChIKey is RNVVOPMHPZOROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H6I2N2/c17-9-1-3-11-13(5-9)16(8-20)12-4-2-10(18)6-14(12)15(11)7-19/h1-6H.
What are the key properties of 2,6-diiodoanthracene-9,10-dicarbonitrile?
2,6-diiodoanthracene-9,10-dicarbonitrile has a molecular weight of 480.05 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodoanthracene-9,10-dicarbonitrile is sourced from PubChem (CID 132838305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).