4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium

C40H40IrN3OSi- — CID 164797024

IUPAC4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
SMILESCC1=CC(C)=[N+](c2ccc(-c3[c-]cc([Si](C)(C)C)c4c3oc3c(C)cccc34)nc2)C1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir]
InChIInChI=1S/C27H28N2OSi.C13H12N.Ir/c1-17-14-19(3)29(16-17)20-10-12-23(28-15-20)21-11-13-24(31(4,5)6)25-22-9-7-8-18(2)26(22)30-27(21)25;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h7-10,12-15H,16H2,1-6H3;3-6,8-9H,1-2H3;/q;-1;
InChIKeyBHVGDJRRUHJKCF-UHFFFAOYSA-N
MW799.08 g/mol
LogP9.53
Rot. Bonds4

About 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium

4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium (PubChem CID 164797024) has the molecular formula C40H40IrN3OSi- and a molecular weight of 799.08 g/mol. Its IUPAC name is 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium.

Molecular Properties

Compound Name4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
PubChem CID164797024
Molecular FormulaC40H40IrN3OSi-
Molecular Weight799.08 g/mol
Exact Mass799.26
IUPAC Name4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
SMILESCC1=CC(C)=[N+](c2ccc(-c3[c-]cc([Si](C)(C)C)c4c3oc3c(C)cccc34)nc2)C1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir]
InChIInChI=1S/C27H28N2OSi.C13H12N.Ir/c1-17-14-19(3)29(16-17)20-10-12-23(28-15-20)21-11-13-24(31(4,5)6)25-22-9-7-8-18(2)26(22)30-27(21)25;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h7-10,12-15H,16H2,1-6H3;3-6,8-9H,1-2H3;/q;-1;
InChIKeyBHVGDJRRUHJKCF-UHFFFAOYSA-N
XLogP9.53
TPSA41.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.08
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;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

iridium;5-methyl-2-phenylpyridine;trimethyl-[6-methyl-4-(3-methyl-5-propan-2-yl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]silane
CID 164796738
4,5-dimethyl-2-phenylpyridine;[4-(3,4-dimethyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium
CID 164796971
[3-tert-butyl-8-(4-methyl-2-pyridinyl)-7H-[1]benzofuro[2,3-b]pyridin-7-id-5-yl]-trimethylsilane;4,5-dimethyl-2-phenylpyridine;iridium
CID 164796904
iridium;5-methyl-2-phenylpyridine;trimethyl-[6-(5-methyl-2-pyridinyl)-7H-[1]benzofuro[3,2-c]pyridin-7-id-9-yl]silane
CID 164797050
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[4-methyl-5-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796884
iridium;4-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-(2-methylpentan-3-yl)-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796771
[4-(5-cyclohexyl-2-pyridinyl)-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;5-methyl-2-phenylpyridine
CID 155608383
[4-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium;4-methyl-2-phenylpyridine
CID 164796899
4-(8,18-dimethyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaen-2-yl)-2-phenylpyridine;4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium
CID 164802798
iridium;5-methyl-2-phenylpyridine;trimethyl-[4-[5-methyl-4-[3,3,3-trideuterio-2,2-bis(trideuteriomethyl)propyl]-2-pyridinyl]-3H-dibenzofuran-3-id-1-yl]silane
CID 164796923
4-(8,16-dimethyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-12-yl)-2-phenylpyridine;4,5-dimethyl-2-(4-methylbenzene-6-id-1-yl)pyridine;iridium
CID 164802847
iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577541

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium?
The IUPAC name of 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium (CID 164797024) is 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium.
What is the SMILES notation for 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium?
The canonical SMILES for 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium is CC1=CC(C)=[N+](c2ccc(-c3[c-]cc([Si](C)(C)C)c4c3oc3c(C)cccc34)nc2)C1.Cc1cnc(-c2[c-]cccc2)cc1C.[Ir].
What is the InChIKey of 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium?
The InChIKey is BHVGDJRRUHJKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2OSi.C13H12N.Ir/c1-17-14-19(3)29(16-17)20-10-12-23(28-15-20)21-11-13-24(31(4,5)6)25-22-9-7-8-18(2)26(22)30-27(21)25;1-10-8-13(14-9-11(10)2)12-6-4-3-5-7-12;/h7-10,12-15H,16H2,1-6H3;3-6,8-9H,1-2H3;/q;-1;.
What are the key properties of 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium?
4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium has a molecular weight of 799.08 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-phenylpyridine;[4-[5-(3,5-dimethyl-2H-pyrrol-1-ium-1-yl)-2-pyridinyl]-6-methyl-3H-dibenzofuran-3-id-1-yl]-trimethylsilane;iridium is sourced from PubChem (CID 164797024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).