1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane

C56H57GeIrN5O-2 — CID 156668389

IUPAC1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)c2c1CCCC2.Cc1nccc2c1oc1c(-c3nc4cncc(C)c4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc(C)c12.[Ir]
InChIInChI=1S/C38H35N4O.C18H22GeN.Ir/c1-21(2)30-17-27(26-11-9-8-10-12-26)18-31(22(3)4)35(30)42-34-24(6)19-39-20-32(34)41-38(42)29-14-13-23(5)33-28-15-16-40-25(7)36(28)43-37(29)33;1-19(2,3)17-13-20-18(14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;/h8-13,15-22H,1-7H3;4-6,9,13H,7-8,11-12H2,1-3H3;/q2*-1;
InChIKeyJYPGYQWMWIEPPZ-UHFFFAOYSA-N
MW1080.93 g/mol
LogP13.99
Rot. Bonds7

About 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane

1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane (PubChem CID 156668389) has the molecular formula C56H57GeIrN5O-2 and a molecular weight of 1080.93 g/mol. Its IUPAC name is 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane.

Molecular Properties

Compound Name1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane
PubChem CID156668389
Molecular FormulaC56H57GeIrN5O-2
Molecular Weight1080.93 g/mol
Exact Mass1082.34
IUPAC Name1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)c2c1CCCC2.Cc1nccc2c1oc1c(-c3nc4cncc(C)c4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc(C)c12.[Ir]
InChIInChI=1S/C38H35N4O.C18H22GeN.Ir/c1-21(2)30-17-27(26-11-9-8-10-12-26)18-31(22(3)4)35(30)42-34-24(6)19-39-20-32(34)41-38(42)29-14-13-23(5)33-28-15-16-40-25(7)36(28)43-37(29)33;1-19(2,3)17-13-20-18(14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;/h8-13,15-22H,1-7H3;4-6,9,13H,7-8,11-12H2,1-3H3;/q2*-1;
InChIKeyJYPGYQWMWIEPPZ-UHFFFAOYSA-N
XLogP13.99
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.93
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane?
The IUPAC name of 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane (CID 156668389) is 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane.
What is the SMILES notation for 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane?
The canonical SMILES for 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)c2c1CCCC2.Cc1nccc2c1oc1c(-c3nc4cncc(C)c4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]cc(C)c12.[Ir].
What is the InChIKey of 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane?
The InChIKey is JYPGYQWMWIEPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N4O.C18H22GeN.Ir/c1-21(2)30-17-27(26-11-9-8-10-12-26)18-31(22(3)4)35(30)42-34-24(6)19-39-20-32(34)41-38(42)29-14-13-23(5)33-28-15-16-40-25(7)36(28)43-37(29)33;1-19(2,3)17-13-20-18(14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;/h8-13,15-22H,1-7H3;4-6,9,13H,7-8,11-12H2,1-3H3;/q2*-1;.
What are the key properties of 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane?
1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane has a molecular weight of 1080.93 g/mol, XLogP of 13.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-8-[7-methyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-c]pyridin-7-ide;iridium;trimethyl-(1-phenyl-5,6,7,8-tetrahydroisoquinolin-4-yl)germane is sourced from PubChem (CID 156668389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).