6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium

C19H18IrN3- — CID 140604497

IUPAC6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
SMILESCc1cc[c-]c2c1nc(C(C)(C)C)n1c3ccccc3nc21.[Ir]
InChIInChI=1S/C19H18N3.Ir/c1-12-8-7-9-13-16(12)21-18(19(2,3)4)22-15-11-6-5-10-14(15)20-17(13)22;/h5-8,10-11H,1-4H3;/q-1;
InChIKeyOZKZWXSKAUPKCR-UHFFFAOYSA-N
MW480.59 g/mol
LogP4.44
Rot. Bonds

About 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium

6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium (PubChem CID 140604497) has the molecular formula C19H18IrN3- and a molecular weight of 480.59 g/mol. Its IUPAC name is 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium.

Molecular Properties

Compound Name6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
PubChem CID140604497
Molecular FormulaC19H18IrN3-
Molecular Weight480.59 g/mol
Exact Mass481.11
IUPAC Name6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
SMILESCc1cc[c-]c2c1nc(C(C)(C)C)n1c3ccccc3nc21.[Ir]
InChIInChI=1S/C19H18N3.Ir/c1-12-8-7-9-13-16(12)21-18(19(2,3)4)22-15-11-6-5-10-14(15)20-17(13)22;/h5-8,10-11H,1-4H3;/q-1;
InChIKeyOZKZWXSKAUPKCR-UHFFFAOYSA-N
XLogP4.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.44
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

6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604455
6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline
CID 70652129
iridium;6-(2-methylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
CID 140604444
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
iridium;6-(2-phenylphenyl)-1H-benzimidazolo[1,2-c]quinazolin-1-ide
CID 140604477
3,6-ditert-butyl-1H-benzimidazolo[2,1-a][2,7]naphthyridin-1-ide;iridium
CID 140687846
butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484
6-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;9-tert-butyl-1H-benzimidazolo[2,1-a]isoquinolin-1-ide;6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;3-tert-butyl-9,10-dimethyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;3,6-ditert-butyl-1H-benzimidazolo[2,1-f][1,6]naphthyridin-1-ide;pentakis(iridium)
CID 159757292
6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
CID 144782045
CID 177271309
CID 177271309
10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline
CID 134191334
butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
CID 144768129

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium?
The IUPAC name of 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium (CID 140604497) is 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium.
What is the SMILES notation for 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium?
The canonical SMILES for 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium is Cc1cc[c-]c2c1nc(C(C)(C)C)n1c3ccccc3nc21.[Ir].
What is the InChIKey of 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium?
The InChIKey is OZKZWXSKAUPKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N3.Ir/c1-12-8-7-9-13-16(12)21-18(19(2,3)4)22-15-11-6-5-10-14(15)20-17(13)22;/h5-8,10-11H,1-4H3;/q-1;.
What are the key properties of 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium?
6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium has a molecular weight of 480.59 g/mol, XLogP of 4.44, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium is sourced from PubChem (CID 140604497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).