1,10-phenanthrolin-2-ylmethyl(phenyl)diazene

C19H14N4 — CID 91192293

IUPAC1,10-phenanthrolin-2-ylmethyl(phenyl)diazene
SMILESc1ccc(/N=N/Cc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C19H14N4/c1-2-6-16(7-3-1)23-21-13-17-11-10-15-9-8-14-5-4-12-20-18(14)19(15)22-17/h1-12H,13H2/b23-21+
InChIKeyHJOXCYMMBVRTEU-XTQSDGFTSA-N
MW298.35 g/mol
LogP5.07
Rot. Bonds3

About 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene

1,10-phenanthrolin-2-ylmethyl(phenyl)diazene (PubChem CID 91192293) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene.

Molecular Properties

Compound Name1,10-phenanthrolin-2-ylmethyl(phenyl)diazene
PubChem CID91192293
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name1,10-phenanthrolin-2-ylmethyl(phenyl)diazene
SMILESc1ccc(/N=N/Cc2ccc3ccc4cccnc4c3n2)cc1
InChIInChI=1S/C19H14N4/c1-2-6-16(7-3-1)23-21-13-17-11-10-15-9-8-14-5-4-12-20-18(14)19(15)22-17/h1-12H,13H2/b23-21+
InChIKeyHJOXCYMMBVRTEU-XTQSDGFTSA-N
XLogP5.07
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(2-quinolin-2-ylethyl)-1,10-phenanthroline;hydrochloride
CID 70116348
ditert-butyl(1,10-phenanthrolin-2-ylmethyl)phosphane
CID 122456424
CID 58385596
CID 58385596
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
2-heptyl-1,10-phenanthroline
CID 150280165
[8-[tert-butyl(dimethyl)silyl]oxyquinolin-2-yl]methyl-pyridin-2-yldiazene
CID 91306663
benzo[h]quinoline;naphthalene
CID 175017782

Frequently Asked Questions

What is the IUPAC name of 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene?
The IUPAC name of 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene (CID 91192293) is 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene.
What is the SMILES notation for 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene?
The canonical SMILES for 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene is c1ccc(/N=N/Cc2ccc3ccc4cccnc4c3n2)cc1.
What is the InChIKey of 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene?
The InChIKey is HJOXCYMMBVRTEU-XTQSDGFTSA-N. The full InChI is InChI=1S/C19H14N4/c1-2-6-16(7-3-1)23-21-13-17-11-10-15-9-8-14-5-4-12-20-18(14)19(15)22-17/h1-12H,13H2/b23-21+.
What are the key properties of 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene?
1,10-phenanthrolin-2-ylmethyl(phenyl)diazene has a molecular weight of 298.35 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-phenanthrolin-2-ylmethyl(phenyl)diazene is sourced from PubChem (CID 91192293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).