4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

C66H71IrN3OSi — CID 169039273

IUPAC4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILESC[Si](C)(C)c1cnc(-c2ccccc2)cc1CC1CCCC1.[Ir].c1ccc(-c2cc(CC3CCCC3)ccn2)cc1.c1ccc(-c2ccc(-c3cc(C4CCCCC4)ccn3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C29H25NO.C20H27NSi.C17H19N.Ir/c1-3-9-20(10-4-1)22-17-18-30-26(19-22)24-16-15-23(21-11-5-2-6-12-21)28-25-13-7-8-14-27(25)31-29(24)28;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-2-8-16(9-3-1)17-13-15(10-11-18-17)12-14-6-4-5-7-14;/h2,5-8,11-20H,1,3-4,9-10H2;4-6,11-12,14-16H,7-10,13H2,1-3H3;1-3,8-11,13-14H,4-7,12H2;
InChIKeyDFWZZZAPVZDDBP-UHFFFAOYSA-N
MW1142.62 g/mol
LogP17.87
Rot. Bonds10

About 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium

4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (PubChem CID 169039273) has the molecular formula C66H71IrN3OSi and a molecular weight of 1142.62 g/mol. Its IUPAC name is 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.

Molecular Properties

Compound Name4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
PubChem CID169039273
Molecular FormulaC66H71IrN3OSi
Molecular Weight1142.62 g/mol
Exact Mass1142.50
IUPAC Name4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
SMILESC[Si](C)(C)c1cnc(-c2ccccc2)cc1CC1CCCC1.[Ir].c1ccc(-c2cc(CC3CCCC3)ccn2)cc1.c1ccc(-c2ccc(-c3cc(C4CCCCC4)ccn3)c3oc4ccccc4c23)cc1
InChIInChI=1S/C29H25NO.C20H27NSi.C17H19N.Ir/c1-3-9-20(10-4-1)22-17-18-30-26(19-22)24-16-15-23(21-11-5-2-6-12-21)28-25-13-7-8-14-27(25)31-29(24)28;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-2-8-16(9-3-1)17-13-15(10-11-18-17)12-14-6-4-5-7-14;/h2,5-8,11-20H,1,3-4,9-10H2;4-6,11-12,14-16H,7-10,13H2,1-3H3;1-3,8-11,13-14H,4-7,12H2;
InChIKeyDFWZZZAPVZDDBP-UHFFFAOYSA-N
XLogP17.87
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001142.62
LogP ≤ 517.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038948
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;iridium;4-(2-methylpropyl)-2-phenylpyridine;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 169038715
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-(cyclohexylmethyl)-2-(7-methyl-1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[6-(3-cyclopentylbenzene-6-id-1-yl)-4-(2,2-dimethylpropyl)-3-pyridinyl]-trimethylsilane;iridium
CID 169039237
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140738962
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-(2,2-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-(cyclohexylmethyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578804
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611470
4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162707805
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-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The IUPAC name of 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium (CID 169039273) is 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium.
What is the SMILES notation for 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The canonical SMILES for 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is C[Si](C)(C)c1cnc(-c2ccccc2)cc1CC1CCCC1.[Ir].c1ccc(-c2cc(CC3CCCC3)ccn2)cc1.c1ccc(-c2ccc(-c3cc(C4CCCCC4)ccn3)c3oc4ccccc4c23)cc1.
What is the InChIKey of 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
The InChIKey is DFWZZZAPVZDDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO.C20H27NSi.C17H19N.Ir/c1-3-9-20(10-4-1)22-17-18-30-26(19-22)24-16-15-23(21-11-5-2-6-12-21)28-25-13-7-8-14-27(25)31-29(24)28;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-2-8-16(9-3-1)17-13-15(10-11-18-17)12-14-6-4-5-7-14;/h2,5-8,11-20H,1,3-4,9-10H2;4-6,11-12,14-16H,7-10,13H2,1-3H3;1-3,8-11,13-14H,4-7,12H2;.
What are the key properties of 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium?
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium has a molecular weight of 1142.62 g/mol, XLogP of 17.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium is sourced from PubChem (CID 169039273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).