iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine

C24H19IrN3O-2 — CID 58106765

IUPACiridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(Cc1cccc(-c2[c-]ccnc2)n1)c1cccc(Oc2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C24H19N3O.Ir/c1-18(16-20-9-5-13-23(26-20)19-8-7-15-25-17-19)22-12-6-14-24(27-22)28-21-10-3-2-4-11-21;/h2-7,9-10,12-15,17-18H,16H2,1H3;/q-2;
InChIKeyCIMVNFWZNBPHAH-UHFFFAOYSA-N
MW557.65 g/mol
LogP5.27
Rot. Bonds6

About iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine

iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 58106765) has the molecular formula C24H19IrN3O-2 and a molecular weight of 557.65 g/mol. Its IUPAC name is iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

Compound Nameiridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine
PubChem CID58106765
Molecular FormulaC24H19IrN3O-2
Molecular Weight557.65 g/mol
Exact Mass558.12
IUPAC Nameiridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine
SMILESCC(Cc1cccc(-c2[c-]ccnc2)n1)c1cccc(Oc2[c-]cccc2)n1.[Ir]
InChIInChI=1S/C24H19N3O.Ir/c1-18(16-20-9-5-13-23(26-20)19-8-7-15-25-17-19)22-12-6-14-24(27-22)28-21-10-3-2-4-11-21;/h2-7,9-10,12-15,17-18H,16H2,1H3;/q-2;
InChIKeyCIMVNFWZNBPHAH-UHFFFAOYSA-N
XLogP5.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine with MolForge

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Related Compounds

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2-[(3-Fluoro-4-pyridinyl)methoxy]-6-(1-methylpiperidin-4-yl)pyridine
CID 169771606
6,6'-Di-t-butoxy terpyridine
CID 155819088
3-(6-Ethoxy-2-pyridinyl)-1-azabicyclo[2.2.2]oct-2-ene
CID 18966420
2,2'-Oxybis(6-phenylpyridine)
CID 23135788
CID 57806497
CID 57806497
CID 57936831
CID 57936831
CID 57936973
CID 57936973
CID 57937047
CID 57937047
iridium;2-(phenoxy)-6-[1-[6-(3H-pyridin-3-id-4-yl)-2-pyridinyl]ethyl]pyridine
CID 58106780
(Z)-4-hydroxy-6-[6-(3H-naphthalen-3-id-2-yloxy)-2-pyridinyl]hept-3-en-2-one;iridium
CID 58106867

Frequently Asked Questions

What is the IUPAC name of iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine?
The IUPAC name of iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine (CID 58106765) is iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine.
What is the SMILES notation for iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine?
The canonical SMILES for iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine is CC(Cc1cccc(-c2[c-]ccnc2)n1)c1cccc(Oc2[c-]cccc2)n1.[Ir].
What is the InChIKey of iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine?
The InChIKey is CIMVNFWZNBPHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O.Ir/c1-18(16-20-9-5-13-23(26-20)19-8-7-15-25-17-19)22-12-6-14-24(27-22)28-21-10-3-2-4-11-21;/h2-7,9-10,12-15,17-18H,16H2,1H3;/q-2;.
What are the key properties of iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine?
iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 557.65 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(phenoxy)-6-[1-[6-(4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 58106765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).