iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine

C18H11IrN2- — CID 58401094

IUPACiridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine
SMILES[C-]#[N+]c1cccc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir]
InChIInChI=1S/C18H11N2.Ir/c1-19-17-9-5-7-15(13-17)14-6-4-8-16(12-14)18-10-2-3-11-20-18;/h2-7,9-13H;/q-1;
InChIKeyCKZSMJXQEIWBOJ-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.76
Rot. Bonds2

About iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine

iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine (PubChem CID 58401094) has the molecular formula C18H11IrN2- and a molecular weight of 447.52 g/mol. Its IUPAC name is iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Nameiridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine
PubChem CID58401094
Molecular FormulaC18H11IrN2-
Molecular Weight447.52 g/mol
Exact Mass448.06
IUPAC Nameiridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine
SMILES[C-]#[N+]c1cccc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir]
InChIInChI=1S/C18H11N2.Ir/c1-19-17-9-5-7-15(13-17)14-6-4-8-16(12-14)18-10-2-3-11-20-18;/h2-7,9-13H;/q-1;
InChIKeyCKZSMJXQEIWBOJ-UHFFFAOYSA-N
XLogP4.76
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140587213
iridium;5-(3-isocyanophenyl)-4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 176849305
2-[3-(3,5-difluorophenyl)benzene-6-id-1-yl]pyridine;iridium
CID 58658159
iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(3-isocyanobenzene-6-id-1-yl)pyridine
CID 58162321
pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159806312
2-(4-fluoro-3-phenylbenzene-6-id-1-yl)-5-methylpyridine;tetrakis(iridium);2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-5-methylpyridine;methane;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 158946315
2-[3-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-(3,5-diphenylphenyl)-5-phenylphenyl]phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-[3-(3-naphthalen-1-yl-5-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;2-[3-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 159380882
iridium;4-(2,3,4,5,6-pentakis-phenylphenyl)-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)benzene-6-id-1-yl]pyridine
CID 153429636
tetrakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159132811
bis(4-tert-butyl-2-(3-phenylbenzene-6-id-1-yl)pyridine);tris(iridium);2-(3-phenylbenzene-6-id-1-yl)pyridine;bis(2-phenylpyridine)
CID 160793818

Frequently Asked Questions

What is the IUPAC name of iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine (CID 58401094) is iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine is [C-]#[N+]c1cccc(-c2cc[c-]c(-c3ccccn3)c2)c1.[Ir].
What is the InChIKey of iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine?
The InChIKey is CKZSMJXQEIWBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N2.Ir/c1-19-17-9-5-7-15(13-17)14-6-4-8-16(12-14)18-10-2-3-11-20-18;/h2-7,9-13H;/q-1;.
What are the key properties of iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine?
iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine has a molecular weight of 447.52 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[3-(3-isocyanophenyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 58401094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).