8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C52H48GeIrN4O2-2 — CID 156670156

IUPAC8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccccc3n2-c2ccc3c(c2)oc2cc(C(C)(C)C)ccc23)c2oc3nc(C(C)C)ccc3c12.[Ir]
InChIInChI=1S/C38H32N3O2.C14H16GeN.Ir/c1-21(2)29-18-17-27-34-22(3)11-14-28(35(34)43-37(27)40-29)36-39-30-9-7-8-10-31(30)41(36)24-13-16-26-25-15-12-23(38(4,5)6)19-32(25)42-33(26)20-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h7-13,15-21H,1-6H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyYKXOPQBWYJFAJU-UHFFFAOYSA-N
MW1025.81 g/mol
LogP13.51
Rot. Bonds5

About 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156670156) has the molecular formula C52H48GeIrN4O2-2 and a molecular weight of 1025.81 g/mol. Its IUPAC name is 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156670156
Molecular FormulaC52H48GeIrN4O2-2
Molecular Weight1025.81 g/mol
Exact Mass1027.26
IUPAC Name8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccccc3n2-c2ccc3c(c2)oc2cc(C(C)(C)C)ccc23)c2oc3nc(C(C)C)ccc3c12.[Ir]
InChIInChI=1S/C38H32N3O2.C14H16GeN.Ir/c1-21(2)29-18-17-27-34-22(3)11-14-28(35(34)43-37(27)40-29)36-39-30-9-7-8-10-31(30)41(36)24-13-16-26-25-15-12-23(38(4,5)6)19-32(25)42-33(26)20-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h7-13,15-21H,1-6H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyYKXOPQBWYJFAJU-UHFFFAOYSA-N
XLogP13.51
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.81
LogP ≤ 513.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156670156) is 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2nc3ccccc3n2-c2ccc3c(c2)oc2cc(C(C)(C)C)ccc23)c2oc3nc(C(C)C)ccc3c12.[Ir].
What is the InChIKey of 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is YKXOPQBWYJFAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N3O2.C14H16GeN.Ir/c1-21(2)29-18-17-27-34-22(3)11-14-28(35(34)43-37(27)40-29)36-39-30-9-7-8-10-31(30)41(36)24-13-16-26-25-15-12-23(38(4,5)6)19-32(25)42-33(26)20-24;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h7-13,15-21H,1-6H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 1025.81 g/mol, XLogP of 13.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(7-tert-butyldibenzofuran-3-yl)benzimidazol-2-yl]-5-methyl-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156670156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).