[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium

C49H52GeIrN2O-2 — CID 155612324

IUPAC[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1c[c-]c(-c2cc(CC(C)(C)C)ccn2)c2oc3cc(-c4ccccc4)ccc3c12.[Ir]
InChIInChI=1S/C29H26NO.C20H26GeN.Ir/c1-19-10-12-23(25-16-20(14-15-30-25)18-29(2,3)4)28-27(19)24-13-11-22(17-26(24)31-28)21-8-6-5-7-9-21;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h5-11,13-17H,18H2,1-4H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeySGKVPSGAAGSIIL-UHFFFAOYSA-N
MW949.79 g/mol
LogP12.84
Rot. Bonds7

About [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium

[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium (PubChem CID 155612324) has the molecular formula C49H52GeIrN2O-2 and a molecular weight of 949.79 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
PubChem CID155612324
Molecular FormulaC49H52GeIrN2O-2
Molecular Weight949.79 g/mol
Exact Mass951.29
IUPAC Name[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
SMILESC[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1c[c-]c(-c2cc(CC(C)(C)C)ccn2)c2oc3cc(-c4ccccc4)ccc3c12.[Ir]
InChIInChI=1S/C29H26NO.C20H26GeN.Ir/c1-19-10-12-23(25-16-20(14-15-30-25)18-29(2,3)4)28-27(19)24-13-11-22(17-26(24)31-28)21-8-6-5-7-9-21;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h5-11,13-17H,18H2,1-4H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;
InChIKeySGKVPSGAAGSIIL-UHFFFAOYSA-N
XLogP12.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.79
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis([4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane);2-(1,9-dimethyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(3-methylbutan-2-yl)pyridine;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;pentakis(iridium);2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-(2-methylpropyl)pyridine;2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine
CID 161464958
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 155611088
4-(cyclopentylmethyl)-2-[7-(2,4,6-trimethylphenyl)-3H-dibenzofuran-3-id-4-yl]pyridine;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155611856
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577406
8-[4-(cyclopentylmethyl)-2-pyridinyl]-5-methyl-2-(2,4,6-trimethylphenyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 155610715
4-(cyclohexylmethyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578804
4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzothiophen-3-id-2-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 164712602
4-[cyclopentyl(dideuterio)methyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(1,1-dideuterio-2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 166577438
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-benzyl-6-phenyl-3-pyridinyl)-trimethylgermane;8-[4-(2,2-dimethylpropyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium
CID 162709502
4-(2-deuteriopropan-2-yl)-2-(1,7-difluoro-3H-dibenzofuran-3-id-4-yl)pyridine;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 164712149
5-tert-butyl-8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 167332662

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The IUPAC name of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium (CID 155612324) is [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium.
What is the SMILES notation for [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The canonical SMILES for [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium is C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.Cc1c[c-]c(-c2cc(CC(C)(C)C)ccn2)c2oc3cc(-c4ccccc4)ccc3c12.[Ir].
What is the InChIKey of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The InChIKey is SGKVPSGAAGSIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26NO.C20H26GeN.Ir/c1-19-10-12-23(25-16-20(14-15-30-25)18-29(2,3)4)28-27(19)24-13-11-22(17-26(24)31-28)21-8-6-5-7-9-21;1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;/h5-11,13-17H,18H2,1-4H3;4-6,11,14-16H,7-10,13H2,1-3H3;/q2*-1;.
What are the key properties of [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium has a molecular weight of 949.79 g/mol, XLogP of 12.84, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylgermane;4-(2,2-dimethylpropyl)-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium is sourced from PubChem (CID 155612324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).