7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile

C19H7N9 — CID 130343710

IUPAC7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile
SMILESN#Cc1cc2c3cc(N)c(C#N)nc3c3cc(C#N)c(C#N)nc3c2nc1N
InChIInChI=1S/C19H7N9/c20-4-8-1-12-16-11(3-13(24)15(7-23)27-16)10-2-9(5-21)19(25)28-17(10)18(12)26-14(8)6-22/h1-3H,24H2,(H2,25,28)
InChIKeyJXKJTNVIJVEINM-UHFFFAOYSA-N
MW361.33 g/mol
LogP1.98
Rot. Bonds

About 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile

7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile (PubChem CID 130343710) has the molecular formula C19H7N9 and a molecular weight of 361.33 g/mol. Its IUPAC name is 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile.

Molecular Properties

Compound Name7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile
PubChem CID130343710
Molecular FormulaC19H7N9
Molecular Weight361.33 g/mol
Exact Mass361.08
IUPAC Name7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile
SMILESN#Cc1cc2c3cc(N)c(C#N)nc3c3cc(C#N)c(C#N)nc3c2nc1N
InChIInChI=1S/C19H7N9/c20-4-8-1-12-16-11(3-13(24)15(7-23)27-16)10-2-9(5-21)19(25)28-17(10)18(12)26-14(8)6-22/h1-3H,24H2,(H2,25,28)
InChIKeyJXKJTNVIJVEINM-UHFFFAOYSA-N
XLogP1.98
TPSA185.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

8-methylpyrazino[2,3-f][1,7]phenanthroline-2,3,6,7,10,11-hexacarbonitrile
CID 167179391
3,6-diazahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,23,25-tridecaene-4,5,10,11-tetracarbonitrile
CID 139436239
4,6,11-triamino-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbonitrile
CID 3388987
11,16-diisocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene-4,5,10,17-tetracarbonitrile
CID 123303930
3-amino-6-bromo-5-methylpyridine-2-carbonitrile
CID 131305995
16,17-diisocyano-3,6,9,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,5,10,11-tetracarbonitrile
CID 171445898
3,6-diamino-2-formylthieno[2,3-b]pyridine-5-carbonitrile
CID 129257425
11-amino-2,4,6,10-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,7,9,11,13-heptaene-8,12,14-tricarbonitrile
CID 172544513
6-amino-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 82415695
6-aminothieno[2,3-b]pyridine-5-carbonitrile
CID 23130750
5-amino-11,16-dimethyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,10,17-tricarbonitrile
CID 70856637
5-amino-2,3-dimethylimidazo[4,5-b]pyridine-6-carbonitrile
CID 10261861

Frequently Asked Questions

What is the IUPAC name of 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile?
The IUPAC name of 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile (CID 130343710) is 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile.
What is the SMILES notation for 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile?
The canonical SMILES for 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile is N#Cc1cc2c3cc(N)c(C#N)nc3c3cc(C#N)c(C#N)nc3c2nc1N.
What is the InChIKey of 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile?
The InChIKey is JXKJTNVIJVEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H7N9/c20-4-8-1-12-16-11(3-13(24)15(7-23)27-16)10-2-9(5-21)19(25)28-17(10)18(12)26-14(8)6-22/h1-3H,24H2,(H2,25,28).
What are the key properties of 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile?
7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile has a molecular weight of 361.33 g/mol, XLogP of 1.98, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-diaminopyrido[2,3-f][1,10]phenanthroline-2,3,6,10-tetracarbonitrile is sourced from PubChem (CID 130343710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).