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

C64H69IrN3OSi — CID 169038948

IUPAC4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
SMILESCC(C)Cc1ccnc(-c2ccc(-c3ccccc3)c3c2oc2ccccc23)c1.C[Si](C)(C)c1cnc(-c2ccccc2)cc1CC1CCCC1.[Ir].c1ccc(-c2cc(CC3CCCC3)ccn2)cc1
InChIInChI=1S/C27H23NO.C20H27NSi.C17H19N.Ir/c1-18(2)16-19-14-15-28-24(17-19)22-13-12-21(20-8-4-3-5-9-20)26-23-10-6-7-11-25(23)29-27(22)26;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;/h3-15,17-18H,16H2,1-2H3;4-6,11-12,14-16H,7-10,13H2,1-3H3;1-3,8-11,13-14H,4-7,12H2;
InChIKeyZTIQVYZSZLGRAB-UHFFFAOYSA-N
MW1116.58 g/mol
LogP17.02
Rot. Bonds11

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

4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine (PubChem CID 169038948) has the molecular formula C64H69IrN3OSi and a molecular weight of 1116.58 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
PubChem CID169038948
Molecular FormulaC64H69IrN3OSi
Molecular Weight1116.58 g/mol
Exact Mass1116.48
IUPAC Name4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
SMILESCC(C)Cc1ccnc(-c2ccc(-c3ccccc3)c3c2oc2ccccc23)c1.C[Si](C)(C)c1cnc(-c2ccccc2)cc1CC1CCCC1.[Ir].c1ccc(-c2cc(CC3CCCC3)ccn2)cc1
InChIInChI=1S/C27H23NO.C20H27NSi.C17H19N.Ir/c1-18(2)16-19-14-15-28-24(17-19)22-13-12-21(20-8-4-3-5-9-20)26-23-10-6-7-11-25(23)29-27(22)26;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;/h3-15,17-18H,16H2,1-2H3;4-6,11-12,14-16H,7-10,13H2,1-3H3;1-3,8-11,13-14H,4-7,12H2;
InChIKeyZTIQVYZSZLGRAB-UHFFFAOYSA-N
XLogP17.02
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001116.58
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
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
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
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
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)-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
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-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine
CID 166578726
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane
CID 140738962
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
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine
CID 166576095
4-(cyclohexylmethyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578804

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine?
The IUPAC name of 4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine (CID 169038948) is 4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine?
The canonical SMILES for 4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine is CC(C)Cc1ccnc(-c2ccc(-c3ccccc3)c3c2oc2ccccc23)c1.C[Si](C)(C)c1cnc(-c2ccccc2)cc1CC1CCCC1.[Ir].c1ccc(-c2cc(CC3CCCC3)ccn2)cc1.
What is the InChIKey of 4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine?
The InChIKey is ZTIQVYZSZLGRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO.C20H27NSi.C17H19N.Ir/c1-18(2)16-19-14-15-28-24(17-19)22-13-12-21(20-8-4-3-5-9-20)26-23-10-6-7-11-25(23)29-27(22)26;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;/h3-15,17-18H,16H2,1-2H3;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-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine?
4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine has a molecular weight of 1116.58 g/mol, XLogP of 17.02, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine is sourced from PubChem (CID 169038948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).