2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C41H36F2GeIrN2O-2 — CID 166576132

IUPAC2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCC(C)Cc1ccnc(-c2[c-]c3oc4ccccc4c3c(-c3cc(F)cc(F)c3)c2)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C27H20F2NO.C14H16GeN.Ir/c1-16(2)9-17-7-8-30-24(10-17)19-13-23(18-11-20(28)15-21(29)12-18)27-22-5-3-4-6-25(22)31-26(27)14-19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-8,10-13,15-16H,9H2,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyCMZPRKMHDZSLRX-UHFFFAOYSA-N
MW875.57 g/mol
LogP10.68
Rot. Bonds6

About 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 166576132) has the molecular formula C41H36F2GeIrN2O-2 and a molecular weight of 875.57 g/mol. Its IUPAC name is 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID166576132
Molecular FormulaC41H36F2GeIrN2O-2
Molecular Weight875.57 g/mol
Exact Mass877.16
IUPAC Name2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCC(C)Cc1ccnc(-c2[c-]c3oc4ccccc4c3c(-c3cc(F)cc(F)c3)c2)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C27H20F2NO.C14H16GeN.Ir/c1-16(2)9-17-7-8-30-24(10-17)19-13-23(18-11-20(28)15-21(29)12-18)27-22-5-3-4-6-25(22)31-26(27)14-19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-8,10-13,15-16H,9H2,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyCMZPRKMHDZSLRX-UHFFFAOYSA-N
XLogP10.68
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.57
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;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

Related Compounds

4-(2-cyclopentylpropan-2-yl)-2-[1-(4-fluoro-3,5-dimethylphenyl)-4H-dibenzofuran-4-id-3-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576531
2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578231
iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574508
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155612022
iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166577515
4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575644
4-(2-deuteriopropan-2-yl)-2-(9-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575711
[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;iridium
CID 164711786
4-(2,2-dimethylpropyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574783
2-(3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155612395
tetrakis(iridium);4-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;5-(2-methylpropyl)-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-(2-methylpropyl)-2-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine
CID 159542369
[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine
CID 166578726

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 166576132) is 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is CC(C)Cc1ccnc(-c2[c-]c3oc4ccccc4c3c(-c3cc(F)cc(F)c3)c2)c1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is CMZPRKMHDZSLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F2NO.C14H16GeN.Ir/c1-16(2)9-17-7-8-30-24(10-17)19-13-23(18-11-20(28)15-21(29)12-18)27-22-5-3-4-6-25(22)31-26(27)14-19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-8,10-13,15-16H,9H2,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 875.57 g/mol, XLogP of 10.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-difluorophenyl)-4H-dibenzofuran-4-id-3-yl]-4-(2-methylpropyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166576132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).