iridium;8-methyl-4-phenyl-3,7-phenanthroline

C19H13IrN2- — CID 168852706

IUPACiridium;8-methyl-4-phenyl-3,7-phenanthroline
SMILESCc1ccc2c(ccc3c(-c4[c-]cccc4)nccc32)n1.[Ir]
InChIInChI=1S/C19H13N2.Ir/c1-13-7-8-16-15-11-12-20-19(14-5-3-2-4-6-14)17(15)9-10-18(16)21-13;/h2-5,7-12H,1H3;/q-1;
InChIKeyJJEKKUIJPBRZMK-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.56
Rot. Bonds1

About iridium;8-methyl-4-phenyl-3,7-phenanthroline

iridium;8-methyl-4-phenyl-3,7-phenanthroline (PubChem CID 168852706) has the molecular formula C19H13IrN2- and a molecular weight of 461.54 g/mol. Its IUPAC name is iridium;8-methyl-4-phenyl-3,7-phenanthroline.

Molecular Properties

Compound Nameiridium;8-methyl-4-phenyl-3,7-phenanthroline
PubChem CID168852706
Molecular FormulaC19H13IrN2-
Molecular Weight461.54 g/mol
Exact Mass462.07
IUPAC Nameiridium;8-methyl-4-phenyl-3,7-phenanthroline
SMILESCc1ccc2c(ccc3c(-c4[c-]cccc4)nccc32)n1.[Ir]
InChIInChI=1S/C19H13N2.Ir/c1-13-7-8-16-15-11-12-20-19(14-5-3-2-4-6-14)17(15)9-10-18(16)21-13;/h2-5,7-12H,1H3;/q-1;
InChIKeyJJEKKUIJPBRZMK-UHFFFAOYSA-N
XLogP4.56
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

iridium;7-phenyl-4-phenylbenzo[f]isoquinoline
CID 59470319
(Z)-4-hydroxypent-3-en-2-one;iridium;4-phenylbenzo[f]isoquinoline
CID 59470234
iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine
CID 162470285
bis(2-methylpyrido[2,3-b]indol-9-ide);bis(1-phenylisoquinoline);bis(platinum(2+))
CID 176622051
4-hydroxypent-3-en-2-ylideneoxidanium;bis(iridium);methane;bis(4-phenylbenzo[f]isoquinoline)
CID 158621639
3,5-dimethyl-2-phenylpyrazine;iridium
CID 58894530
iridium(3+);1-phenylisoquinoline;bis(2-phenylpyridine)
CID 140815692
1-(9,10-diphenyl-3H-anthracen-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium;2-phenylpyridine
CID 176775848
iridium;4-phenyl-1-phenylisoquinoline
CID 58240172
4-(6-methyl-2-pyridinyl)-3,7-phenanthroline
CID 168852634
bis(3,4-dimethyl-2-phenylpyridin-1-ium);iridium;1-phenylisoquinoline
CID 160540235
hexakis(iridium);tris(1-phenyl-4a,8a-dihydroisoquinoline);tris(4-phenylbenzo[f]isoquinoline)
CID 160887788

Frequently Asked Questions

What is the IUPAC name of iridium;8-methyl-4-phenyl-3,7-phenanthroline?
The IUPAC name of iridium;8-methyl-4-phenyl-3,7-phenanthroline (CID 168852706) is iridium;8-methyl-4-phenyl-3,7-phenanthroline.
What is the SMILES notation for iridium;8-methyl-4-phenyl-3,7-phenanthroline?
The canonical SMILES for iridium;8-methyl-4-phenyl-3,7-phenanthroline is Cc1ccc2c(ccc3c(-c4[c-]cccc4)nccc32)n1.[Ir].
What is the InChIKey of iridium;8-methyl-4-phenyl-3,7-phenanthroline?
The InChIKey is JJEKKUIJPBRZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N2.Ir/c1-13-7-8-16-15-11-12-20-19(14-5-3-2-4-6-14)17(15)9-10-18(16)21-13;/h2-5,7-12H,1H3;/q-1;.
What are the key properties of iridium;8-methyl-4-phenyl-3,7-phenanthroline?
iridium;8-methyl-4-phenyl-3,7-phenanthroline has a molecular weight of 461.54 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;8-methyl-4-phenyl-3,7-phenanthroline is sourced from PubChem (CID 168852706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).