iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole

C30H32IrN3- — CID 58401026

IUPACiridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole
SMILESCC(C)Cc1cc2c3ccccc3n(C)c2c(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C30H32N3.Ir/c1-20(2)17-23-19-25-24-13-9-10-14-27(24)32(5)29(25)26(18-21(3)4)28(23)33-16-15-31-30(33)22-11-7-6-8-12-22;/h6-11,13-16,19-21H,17-18H2,1-5H3;/q-1;
InChIKeyOCAIECMOQXWXEC-UHFFFAOYSA-N
MW626.82 g/mol
LogP7.38
Rot. Bonds6

About iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole

iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole (PubChem CID 58401026) has the molecular formula C30H32IrN3- and a molecular weight of 626.82 g/mol. Its IUPAC name is iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole.

Molecular Properties

Compound Nameiridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole
PubChem CID58401026
Molecular FormulaC30H32IrN3-
Molecular Weight626.82 g/mol
Exact Mass627.22
IUPAC Nameiridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole
SMILESCC(C)Cc1cc2c3ccccc3n(C)c2c(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir]
InChIInChI=1S/C30H32N3.Ir/c1-20(2)17-23-19-25-24-13-9-10-14-27(24)32(5)29(25)26(18-21(3)4)28(23)33-16-15-31-30(33)22-11-7-6-8-12-22;/h6-11,13-16,19-21H,17-18H2,1-5H3;/q-1;
InChIKeyOCAIECMOQXWXEC-UHFFFAOYSA-N
XLogP7.38
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.82
LogP ≤ 57.38
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

1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)
CID 158042556
1-[1,3-di(propan-2-yl)dibenzothiophen-4-yl]-2-phenylimidazole;iridium
CID 58400950
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868
1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-2-phenylimidazole;iridium
CID 58400900
5,6-diethyl-5,6-dimethyl-1-[9-methyl-1,3-bis(2-methylpropyl)carbazol-2-yl]imidazo[2,1-a]isoquinolin-4-ium
CID 123195981
butan-2-ol;1-(2,6-dimethylphenyl)-2-phenylimidazole;iridium
CID 155610263
1-(2,6-dimethylphenyl)-2-phenylimidazole;platinum
CID 58162919
iridium;1-naphthalen-1-yl-2-phenylimidazole
CID 58113418
tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);tris(iridium);9-phenylpyrido[2,3-b]indole;9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole;6-propan-2-yl-9-(3-propan-2-ylbenzene-6-id-1-yl)pyrido[2,3-b]indole
CID 160572398
1-[2,6-bis(2-methylpropyl)phenyl]-2-phenylimidazole;1-(2,6-dimethylphenyl)-2-phenylimidazole;tris(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);tris(2-(2-phenylpropan-2-yl)pyridine);9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-ide;9-pyridin-2-yl-1H-carbazol-1-ide
CID 160772982
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
CID 58400883
1-(2,6-diethyl-3,5-diphenylphenyl)-2-phenylimidazole;1-(2,6-diethyl-3-phenylphenyl)-2-phenylimidazole;1-[3,5-diphenyl-2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;tetrakis(iridium);2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 158528465

Frequently Asked Questions

What is the IUPAC name of iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole?
The IUPAC name of iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole (CID 58401026) is iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole.
What is the SMILES notation for iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole?
The canonical SMILES for iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole is CC(C)Cc1cc2c3ccccc3n(C)c2c(CC(C)C)c1-n1ccnc1-c1[c-]cccc1.[Ir].
What is the InChIKey of iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole?
The InChIKey is OCAIECMOQXWXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N3.Ir/c1-20(2)17-23-19-25-24-13-9-10-14-27(24)32(5)29(25)26(18-21(3)4)28(23)33-16-15-31-30(33)22-11-7-6-8-12-22;/h6-11,13-16,19-21H,17-18H2,1-5H3;/q-1;.
What are the key properties of iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole?
iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole has a molecular weight of 626.82 g/mol, XLogP of 7.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;9-methyl-1,3-bis(2-methylpropyl)-2-(2-phenylimidazol-1-yl)carbazole is sourced from PubChem (CID 58401026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).