9-isocyano-1,10-phenanthroline-2-carbonitrile

C14H6N4 — CID 58979970

IUPAC9-isocyano-1,10-phenanthroline-2-carbonitrile
SMILES[C-]#[N+]c1ccc2ccc3ccc(C#N)nc3c2n1
InChIInChI=1S/C14H6N4/c1-16-12-7-5-10-3-2-9-4-6-11(8-15)17-13(9)14(10)18-12/h2-7H
InChIKeyJIWQFCFNHPJXTQ-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.21
Rot. Bonds

About 9-isocyano-1,10-phenanthroline-2-carbonitrile

9-isocyano-1,10-phenanthroline-2-carbonitrile (PubChem CID 58979970) has the molecular formula C14H6N4 and a molecular weight of 230.23 g/mol. Its IUPAC name is 9-isocyano-1,10-phenanthroline-2-carbonitrile.

Molecular Properties

Compound Name9-isocyano-1,10-phenanthroline-2-carbonitrile
PubChem CID58979970
Molecular FormulaC14H6N4
Molecular Weight230.23 g/mol
Exact Mass230.06
IUPAC Name9-isocyano-1,10-phenanthroline-2-carbonitrile
SMILES[C-]#[N+]c1ccc2ccc3ccc(C#N)nc3c2n1
InChIInChI=1S/C14H6N4/c1-16-12-7-5-10-3-2-9-4-6-11(8-15)17-13(9)14(10)18-12/h2-7H
InChIKeyJIWQFCFNHPJXTQ-UHFFFAOYSA-N
XLogP3.21
TPSA53.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

12-isocyano-8,8-bis(4-methylphenyl)-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 58979984
5-[5-(6-isocyano-3-pyridinyl)selenophen-2-yl]pyridine-2-carbonitrile
CID 59637224
6,7,8-trifluoroquinoline-2-carbonitrile
CID 82241514
6,8-dibromoquinoline-2-carbonitrile
CID 102941313
5-[3-[4-[3-(6-cyano-3-pyridinyl)phenyl]-6-[3-(6-isocyano-3-pyridinyl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyridine-2-carbonitrile
CID 140769431
4-[7-(2-isocyano-4-pyridinyl)pyren-2-yl]pyridine-2-carbonitrile
CID 140769354
5,8-difluoroquinoline-2-carbonitrile
CID 82241045
8-chloro-6-iodoquinoline-2-carbonitrile
CID 107608577
N-(2-cyanoquinolin-8-yl)acetamide
CID 139830356
dimethyl pyridine-2,6-dicarboximidate;6-isocyanopyridine-2-carbonitrile;methanol
CID 159946728
8-(4-methylphenoxy)quinoline-2-carbonitrile
CID 102941340
8-isocyano-1,10-phenanthroline-3-carbonitrile
CID 88853098

Frequently Asked Questions

What is the IUPAC name of 9-isocyano-1,10-phenanthroline-2-carbonitrile?
The IUPAC name of 9-isocyano-1,10-phenanthroline-2-carbonitrile (CID 58979970) is 9-isocyano-1,10-phenanthroline-2-carbonitrile.
What is the SMILES notation for 9-isocyano-1,10-phenanthroline-2-carbonitrile?
The canonical SMILES for 9-isocyano-1,10-phenanthroline-2-carbonitrile is [C-]#[N+]c1ccc2ccc3ccc(C#N)nc3c2n1.
What is the InChIKey of 9-isocyano-1,10-phenanthroline-2-carbonitrile?
The InChIKey is JIWQFCFNHPJXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6N4/c1-16-12-7-5-10-3-2-9-4-6-11(8-15)17-13(9)14(10)18-12/h2-7H.
What are the key properties of 9-isocyano-1,10-phenanthroline-2-carbonitrile?
9-isocyano-1,10-phenanthroline-2-carbonitrile has a molecular weight of 230.23 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-isocyano-1,10-phenanthroline-2-carbonitrile is sourced from PubChem (CID 58979970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).