4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

C45H52GeIrN2O-2 — CID 155610798

IUPAC4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)Cc1cc(-c2[c-]ccc(C3CCCCC3)c2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C24H34GeN.C21H18NO.Ir/c1-18(2)14-22-16-24(26-17-23(22)25(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;1-21(2,3)14-11-12-22-18(13-14)17-9-6-8-16-15-7-4-5-10-19(15)23-20(16)17;/h9,12,15-19H,6-8,10-11,14H2,1-5H3;4-8,10-13H,1-3H3;/q2*-1;
InChIKeyNSLJPACAMJPOKL-UHFFFAOYSA-N
MW901.75 g/mol
LogP12.08
Rot. Bonds6

About 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium

4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (PubChem CID 155610798) has the molecular formula C45H52GeIrN2O-2 and a molecular weight of 901.75 g/mol. Its IUPAC name is 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.

Molecular Properties

Compound Name4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
PubChem CID155610798
Molecular FormulaC45H52GeIrN2O-2
Molecular Weight901.75 g/mol
Exact Mass903.29
IUPAC Name4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium
SMILESCC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)Cc1cc(-c2[c-]ccc(C3CCCCC3)c2)ncc1[Ge](C)(C)C.[Ir]
InChIInChI=1S/C24H34GeN.C21H18NO.Ir/c1-18(2)14-22-16-24(26-17-23(22)25(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;1-21(2,3)14-11-12-22-18(13-14)17-9-6-8-16-15-7-4-5-10-19(15)23-20(16)17;/h9,12,15-19H,6-8,10-11,14H2,1-5H3;4-8,10-13H,1-3H3;/q2*-1;
InChIKeyNSLJPACAMJPOKL-UHFFFAOYSA-N
XLogP12.08
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.75
LogP ≤ 512.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyclohexyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155612157
bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-(4-tert-butyl-2-pyridinyl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylgermane;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;tetrakis(iridium);8-(4-methyl-2-pyridinyl)-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-8-(4-propan-2-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-phenyl-8-pyridin-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 160792394
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155612022
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-[4-(2-cyclopentylpropan-2-yl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155610746
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;8-(4-tert-butyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155611052
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155612395
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155611640
[6-(4-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylsilane;8-(4-cyclohexyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 155611148
[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-(5,6,7,8-tetrahydroisoquinolin-1-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155612354
4-cyclohexyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166573664
4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155611856
bis([6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);bis([6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane);8-[4-(1-cyclohexylethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;8-[4-(cyclohexylmethyl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-(2,2-dimethylpropyl)-8-(4-pentan-3-yl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tetrakis(iridium);8-[4-(3-methylpentan-3-yl)-2-pyridinyl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162016390

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The IUPAC name of 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium (CID 155610798) is 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium.
What is the SMILES notation for 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The canonical SMILES for 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)Cc1cc(-c2[c-]ccc(C3CCCCC3)c2)ncc1[Ge](C)(C)C.[Ir].
What is the InChIKey of 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
The InChIKey is NSLJPACAMJPOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34GeN.C21H18NO.Ir/c1-18(2)14-22-16-24(26-17-23(22)25(3,4)5)21-13-9-12-20(15-21)19-10-7-6-8-11-19;1-21(2,3)14-11-12-22-18(13-14)17-9-6-8-16-15-7-4-5-10-19(15)23-20(16)17;/h9,12,15-19H,6-8,10-11,14H2,1-5H3;4-8,10-13H,1-3H3;/q2*-1;.
What are the key properties of 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium?
4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium has a molecular weight of 901.75 g/mol, XLogP of 12.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclohexylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium is sourced from PubChem (CID 155610798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).