iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane

C46H35GeIrN5OS-2 — CID 156668723

IUPACiridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane
SMILESCc1nc2cc[c-]c(-c3ccc([Ge](C)(C)C)cn3)c2o1.[Ir].[c-]1ccc2c(sc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H18N3S.C16H17GeN2O.Ir/c1-3-10-20(11-4-1)25-19-18-23-22-14-9-15-24(28(22)34-30(23)32-25)29-31-26-16-7-8-17-27(26)33(29)21-12-5-2-6-13-21;1-11-19-15-7-5-6-13(16(15)20-11)14-9-8-12(10-18-14)17(2,3)4;/h1-14,16-19H;5,7-10H,1-4H3;/q2*-1;
InChIKeyVHZTWBYBHBOJHJ-UHFFFAOYSA-N
MW970.71 g/mol
LogP11.46
Rot. Bonds5

About iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane

iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane (PubChem CID 156668723) has the molecular formula C46H35GeIrN5OS-2 and a molecular weight of 970.71 g/mol. Its IUPAC name is iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane.

Molecular Properties

Compound Nameiridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane
PubChem CID156668723
Molecular FormulaC46H35GeIrN5OS-2
Molecular Weight970.71 g/mol
Exact Mass972.14
IUPAC Nameiridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane
SMILESCc1nc2cc[c-]c(-c3ccc([Ge](C)(C)C)cn3)c2o1.[Ir].[c-]1ccc2c(sc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C30H18N3S.C16H17GeN2O.Ir/c1-3-10-20(11-4-1)25-19-18-23-22-14-9-15-24(28(22)34-30(23)32-25)29-31-26-16-7-8-17-27(26)33(29)21-12-5-2-6-13-21;1-11-19-15-7-5-6-13(16(15)20-11)14-9-8-12(10-18-14)17(2,3)4;/h1-14,16-19H;5,7-10H,1-4H3;/q2*-1;
InChIKeyVHZTWBYBHBOJHJ-UHFFFAOYSA-N
XLogP11.46
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500970.71
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane with MolForge

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Related Compounds

2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 156660073
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-2-phenyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;[6-(3H-dibenzofuran-3-id-2-yl)-4-methyl-3-pyridinyl]-trimethylgermane;iridium
CID 156670523
2-[dideuterio(phenyl)methyl]-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156670824
iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-[4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 156671776
[6-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-3-pyridinyl]-trimethylsilane;iridium;2-methyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide
CID 156672406
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane
CID 156660868
8-[1-(2,6-diphenylphenyl)benzimidazol-2-yl]-5-(4-fluorophenyl)-9H-[1]benzothiolo[2,3-c]isoquinolin-9-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156671628
8-(1-dibenzothiophen-3-ylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672203
1-[4-tert-butyl-2,6-di(propan-2-yl)phenyl]-2-[7-(4-phenylphenyl)-3H-dibenzothiophen-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658506
1-(2,6-dimethyl-4-phenylphenyl)-2-[3-[4-(trideuteriomethyl)phenyl]-9H-naphtho[1,2-b][1]benzothiol-9-id-10-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156659921
2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658533
8-(1-dibenzothiophen-4-ylbenzimidazol-2-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156667756

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane?
The IUPAC name of iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane (CID 156668723) is iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane.
What is the SMILES notation for iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane?
The canonical SMILES for iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane is Cc1nc2cc[c-]c(-c3ccc([Ge](C)(C)C)cn3)c2o1.[Ir].[c-]1ccc2c(sc3nc(-c4ccccc4)ccc32)c1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane?
The InChIKey is VHZTWBYBHBOJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N3S.C16H17GeN2O.Ir/c1-3-10-20(11-4-1)25-19-18-23-22-14-9-15-24(28(22)34-30(23)32-25)29-31-26-16-7-8-17-27(26)33(29)21-12-5-2-6-13-21;1-11-19-15-7-5-6-13(16(15)20-11)14-9-8-12(10-18-14)17(2,3)4;/h1-14,16-19H;5,7-10H,1-4H3;/q2*-1;.
What are the key properties of iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane?
iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane has a molecular weight of 970.71 g/mol, XLogP of 11.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-8-(1-phenylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;trimethyl-[6-(2-methyl-6H-1,3-benzoxazol-6-id-7-yl)-3-pyridinyl]germane is sourced from PubChem (CID 156668723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).