iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane

C52H52IrN2OSi-2 — CID 166575463

IUPACiridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
SMILESCCC(CC)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.Cc1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1-c1ccccc1.[Ir]
InChIInChI=1S/C28H24NO.C24H28NSi.Ir/c1-3-19(4-2)22-15-16-29-26(17-22)25-12-8-11-24-23-14-13-21(18-27(23)30-28(24)25)20-9-6-5-7-10-20;1-17(2)21-15-23(25-16-24(21)26(4,5)6)20-13-12-18(3)22(14-20)19-10-8-7-9-11-19;/h5-11,13-19H,3-4H2,1-2H3;7-12,14-17H,1-6H3;/q2*-1;
InChIKeyRKHIMNYRTLEADY-UHFFFAOYSA-N
MW941.30 g/mol
LogP14.21
Rot. Bonds9

About iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane

iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane (PubChem CID 166575463) has the molecular formula C52H52IrN2OSi-2 and a molecular weight of 941.30 g/mol. Its IUPAC name is iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane.

Molecular Properties

Compound Nameiridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
PubChem CID166575463
Molecular FormulaC52H52IrN2OSi-2
Molecular Weight941.30 g/mol
Exact Mass941.35
IUPAC Nameiridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
SMILESCCC(CC)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.Cc1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1-c1ccccc1.[Ir]
InChIInChI=1S/C28H24NO.C24H28NSi.Ir/c1-3-19(4-2)22-15-16-29-26(17-22)25-12-8-11-24-23-14-13-21(18-27(23)30-28(24)25)20-9-6-5-7-10-20;1-17(2)21-15-23(25-16-24(21)26(4,5)6)20-13-12-18(3)22(14-20)19-10-8-7-9-11-19;/h5-11,13-19H,3-4H2,1-2H3;7-12,14-17H,1-6H3;/q2*-1;
InChIKeyRKHIMNYRTLEADY-UHFFFAOYSA-N
XLogP14.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.30
LogP ≤ 514.21
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'}

Analyze iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane 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

2-[7-(3,5-dimethylphenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166575619
iridium;4-pentan-3-yl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 166577812
4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-[4-(dideuteriomethyl)-3-phenylbenzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium
CID 171436033
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166578394
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine
CID 166578833
[6-(3-cyclopentylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]-trimethylsilane;4-(cyclopentylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
CID 169039003
[4-(2-deuteriopropan-2-yl)-6-[4-(dideuteriomethyl)-3-phenylbenzene-6-id-1-yl]-3-pyridinyl]-trimethylsilane;iridium;2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine
CID 166574492
4-tert-butyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(3-methyl-4-phenylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]silane
CID 166576736
2-[7-(3-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]-4-pentan-3-ylpyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 166575327
4-(3,3-dimethylbutan-2-yl)-2-[7-(3-fluorophenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 171435893
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166576585
4-(2-cyclopentylpropan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-[6-(2H-naphthalen-2-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane
CID 166576131

Frequently Asked Questions

What is the IUPAC name of iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?
The IUPAC name of iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane (CID 166575463) is iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane.
What is the SMILES notation for iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?
The canonical SMILES for iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane is CCC(CC)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.Cc1c[c-]c(-c2cc(C(C)C)c([Si](C)(C)C)cn2)cc1-c1ccccc1.[Ir].
What is the InChIKey of iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?
The InChIKey is RKHIMNYRTLEADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NO.C24H28NSi.Ir/c1-3-19(4-2)22-15-16-29-26(17-22)25-12-8-11-24-23-14-13-21(18-27(23)30-28(24)25)20-9-6-5-7-10-20;1-17(2)21-15-23(25-16-24(21)26(4,5)6)20-13-12-18(3)22(14-20)19-10-8-7-9-11-19;/h5-11,13-19H,3-4H2,1-2H3;7-12,14-17H,1-6H3;/q2*-1;.
What are the key properties of iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane?
iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane has a molecular weight of 941.30 g/mol, XLogP of 14.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-pentan-3-yl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(4-methyl-3-phenylbenzene-6-id-1-yl)-4-propan-2-yl-3-pyridinyl]silane is sourced from PubChem (CID 166575463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).