1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium

C19H26IrN2-2 — CID 140677085

IUPAC1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium
SMILESCN1[CH-]N(c2[c-]cccc2)C2=C1C(C)(C)C(C)(C)C2(C)C.[Ir]
InChIInChI=1S/C19H26N2.Ir/c1-17(2)15-16(18(3,4)19(17,5)6)21(13-20(15)7)14-11-9-8-10-12-14;/h8-11,13H,1-7H3;/q-2;
InChIKeySQAQPAYMUJLLPX-UHFFFAOYSA-N
MW474.65 g/mol
LogP4.66
Rot. Bonds1

About 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium

1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium (PubChem CID 140677085) has the molecular formula C19H26IrN2-2 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium.

Molecular Properties

Compound Name1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium
PubChem CID140677085
Molecular FormulaC19H26IrN2-2
Molecular Weight474.65 g/mol
Exact Mass475.17
IUPAC Name1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium
SMILESCN1[CH-]N(c2[c-]cccc2)C2=C1C(C)(C)C(C)(C)C2(C)C.[Ir]
InChIInChI=1S/C19H26N2.Ir/c1-17(2)15-16(18(3,4)19(17,5)6)21(13-20(15)7)14-11-9-8-10-12-14;/h8-11,13H,1-7H3;/q-2;
InChIKeySQAQPAYMUJLLPX-UHFFFAOYSA-N
XLogP4.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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iridium;1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide;1-phenyl-3-phenyl-2H-benzimidazol-2-ide
CID 58556265
bis(1,2-dihydroimidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
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iridium;1-phenyl-3-phenyl-2H-imidazo[4,5-b]quinoxalin-2-ide
CID 140806316
osmium;1,5,6-trimethyl-3-phenyl-2H-benzimidazol-2-ide;bis(tri(propan-2-yl)phosphanium)
CID 147264576
bis(1,4-dimethyl-2H-imidazol-2-ide);bis(1-methyl-3-phenyl-2H-benzimidazol-2-ide);platinum
CID 172514289
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
1,3-di(phenyl)-2H-imidazol-2-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 168830637
bis(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyrazin-2-ide);platinum;bis(pyrido[2,3-b]indol-9-ide)
CID 176621912
ethane;ethanol;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;pyridine
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CID 158175345
CID 158175345

Frequently Asked Questions

What is the IUPAC name of 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium?
The IUPAC name of 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium (CID 140677085) is 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium.
What is the SMILES notation for 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium?
The canonical SMILES for 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium is CN1[CH-]N(c2[c-]cccc2)C2=C1C(C)(C)C(C)(C)C2(C)C.[Ir].
What is the InChIKey of 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium?
The InChIKey is SQAQPAYMUJLLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2.Ir/c1-17(2)15-16(18(3,4)19(17,5)6)21(13-20(15)7)14-11-9-8-10-12-14;/h8-11,13H,1-7H3;/q-2;.
What are the key properties of 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium?
1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium has a molecular weight of 474.65 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,5,5,6,6-heptamethyl-3-phenyl-2H-cyclopenta[d]imidazol-2-ide;iridium is sourced from PubChem (CID 140677085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).