4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine

C65H67IrN3OSi — CID 169038906

IUPAC4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine
SMILESCC(C)(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1ccnc(-c2ccccc2)c1.Cc1cc(-c2ccc3oc4c(-c5ccccc5)cccc4c3c2)ncc1-c1ccccc1.[Ir]
InChIInChI=1S/C30H21NO.C19H27NSi.C16H19N.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)23-15-16-29-26(18-23)25-14-8-13-24(30(25)32-29)21-9-4-2-5-10-21;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;/h2-19H,1H3;7-12,14H,13H2,1-6H3;4-11H,12H2,1-3H3;
InChIKeyKBWLHSPFCUDCQW-UHFFFAOYSA-N
MW1126.57 g/mol
LogP17.51
Rot. Bonds8

About 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine

4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine (PubChem CID 169038906) has the molecular formula C65H67IrN3OSi and a molecular weight of 1126.57 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine
PubChem CID169038906
Molecular FormulaC65H67IrN3OSi
Molecular Weight1126.57 g/mol
Exact Mass1126.47
IUPAC Name4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine
SMILESCC(C)(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1ccnc(-c2ccccc2)c1.Cc1cc(-c2ccc3oc4c(-c5ccccc5)cccc4c3c2)ncc1-c1ccccc1.[Ir]
InChIInChI=1S/C30H21NO.C19H27NSi.C16H19N.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)23-15-16-29-26(18-23)25-14-8-13-24(30(25)32-29)21-9-4-2-5-10-21;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;/h2-19H,1H3;7-12,14H,13H2,1-6H3;4-11H,12H2,1-3H3;
InChIKeyKBWLHSPFCUDCQW-UHFFFAOYSA-N
XLogP17.51
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.57
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine 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-(2,2-dimethylpropyl)-5-methyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039106
4-(2-cyclopentylpropan-2-yl)-2-(9-phenyldibenzofuran-2-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039063
4-(cyclohexylmethyl)-2-[7-(2,4,6-trimethylphenyl)dibenzofuran-4-yl]pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039109
4-(2-bicyclo[2.2.2]octanylmethyl)-2-(9-phenyldibenzofuran-4-yl)pyridine;4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039245
4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(3-methylbutan-2-yl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038639
4-(2,2-dimethylpropyl)-2-(7-phenyldibenzofuran-2-yl)pyridine
CID 166578236
2-[4-[2-[4-[2-[4-(4-tert-butyl-2-pyridinyl)-2-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-2,3,5,6-tetramethylphenyl]phenyl]-3-(3-dibenzofuran-4-ylphenyl)phenyl]-4-methyl-5-phenylpyridine
CID 153295059
[4-(2,2-dimethylpropyl)-6-(3-methylphenyl)-3-pyridinyl]-trimethylsilane
CID 155611943
4-tert-butyl-2-(7,9-diphenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039375
2-(6,9-diphenyldibenzofuran-4-yl)-4-methylpyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169038674
4-(2-cyclopentylpropan-2-yl)-2-[7-(2,6-dimethylphenyl)dibenzofuran-4-yl]pyridine;4-ethyl-2-phenylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 169039257
iridium;4-(2-methylpropyl)-2-phenylpyridine;2-(9-phenyldibenzofuran-4-yl)-4-(1-phenylethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169039030

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine (CID 169038906) is 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine is CC(C)(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CC(C)(C)Cc1ccnc(-c2ccccc2)c1.Cc1cc(-c2ccc3oc4c(-c5ccccc5)cccc4c3c2)ncc1-c1ccccc1.[Ir].
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine?
The InChIKey is KBWLHSPFCUDCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NO.C19H27NSi.C16H19N.Ir/c1-20-17-28(31-19-27(20)22-11-6-3-7-12-22)23-15-16-29-26(18-23)25-14-8-13-24(30(25)32-29)21-9-4-2-5-10-21;1-19(2,3)13-16-12-17(15-10-8-7-9-11-15)20-14-18(16)21(4,5)6;1-16(2,3)12-13-9-10-17-15(11-13)14-7-5-4-6-8-14;/h2-19H,1H3;7-12,14H,13H2,1-6H3;4-11H,12H2,1-3H3;.
What are the key properties of 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine?
4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine has a molecular weight of 1126.57 g/mol, XLogP of 17.51, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-phenylpyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-methyl-5-phenyl-2-(6-phenyldibenzofuran-2-yl)pyridine is sourced from PubChem (CID 169038906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).