3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium

C19H23IrN3-2 — CID 140602853

IUPAC3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium
SMILESCC(C)N1[CH-]N(c2[c-]cc(C(C)(C)C)cc2)c2ncccc21.[Ir]
InChIInChI=1S/C19H23N3.Ir/c1-14(2)21-13-22(18-17(21)7-6-12-20-18)16-10-8-15(9-11-16)19(3,4)5;/h6-10,12-14H,1-5H3;/q-2;
InChIKeyQBDRPIOZOXGCHP-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.66
Rot. Bonds2

About 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium

3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium (PubChem CID 140602853) has the molecular formula C19H23IrN3-2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium.

Molecular Properties

Compound Name3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium
PubChem CID140602853
Molecular FormulaC19H23IrN3-2
Molecular Weight485.63 g/mol
Exact Mass486.15
IUPAC Name3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium
SMILESCC(C)N1[CH-]N(c2[c-]cc(C(C)(C)C)cc2)c2ncccc21.[Ir]
InChIInChI=1S/C19H23N3.Ir/c1-14(2)21-13-22(18-17(21)7-6-12-20-18)16-10-8-15(9-11-16)19(3,4)5;/h6-10,12-14H,1-5H3;/q-2;
InChIKeyQBDRPIOZOXGCHP-UHFFFAOYSA-N
XLogP4.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylbenzene-6-id-1-yl)-1-(2-methylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;tetrakis(iridium);1-(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridin-2-ide
CID 159417650
CID 160965715
CID 160965715
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-ide;1-phenyl-3-[4-(3-phenyl-2H-benzimidazol-2-id-1-yl)butyl]-2H-benzimidazol-2-ide
CID 155625565
1-(4-tert-butylbenzene-6-id-1-yl)-3-[4-[1-(4-tert-butylbenzene-6-id-1-yl)-2H-imidazo[4,5-c]pyridin-2-id-3-yl]butyl]-2H-imidazo[4,5-c]pyridin-2-ide;iridium;platinum;1-[3-[[2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-id-4-yl]oxy]benzene-2-id-1-yl]-3-pyridin-2-yl-2H-benzimidazol-2-ide
CID 165377303
iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
iridium;1-methyl-3-(4-propan-2-ylbenzene-6-id-1-yl)-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-[4-(3-phenyl-2H-imidazol-2-id-1-yl)butyl]-2H-imidazol-2-ide
CID 155625575
1-(4-tert-butylbenzene-6-id-1-yl)-3-(4-tert-butylphenyl)-2H-benzimidazol-2-ylium;iridium
CID 58986766
CID 160809287
CID 160809287
1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazo[4,5-b]pyridin-2-ide;13-fluoro-8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11(16),12,14-hexaene;iridium;8-methyl-1,3,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene;8-methyl-1,6,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,11,13,15-hexaene
CID 160736534
1,5-bis(2-methylphenyl)-3-phenyl-2H-benzimidazol-2-ide;tris(iridium);1-phenyl-3-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide;3-phenyl-1-(2-phenylphenyl)-2H-imidazo[4,5-b]pyridin-2-ide
CID 158893903
iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide
CID 140806316
3-(4-tert-butylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine
CID 140758604

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium?
The IUPAC name of 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium (CID 140602853) is 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium.
What is the SMILES notation for 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium?
The canonical SMILES for 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium is CC(C)N1[CH-]N(c2[c-]cc(C(C)(C)C)cc2)c2ncccc21.[Ir].
What is the InChIKey of 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium?
The InChIKey is QBDRPIOZOXGCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.Ir/c1-14(2)21-13-22(18-17(21)7-6-12-20-18)16-10-8-15(9-11-16)19(3,4)5;/h6-10,12-14H,1-5H3;/q-2;.
What are the key properties of 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium?
3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium has a molecular weight of 485.63 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylbenzene-6-id-1-yl)-1-propan-2-yl-2H-imidazo[4,5-b]pyridin-2-ide;iridium is sourced from PubChem (CID 140602853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).