iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

C42H34GeIrN2O-2 — CID 166575511

IUPACiridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
SMILESCc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc2ccccc2cn1
InChIInChI=1S/C27H16NO.C15H18GeN.Ir/c1-2-7-18(8-3-1)20-13-14-22-23-11-6-12-24(27(23)29-26(22)16-20)25-15-19-9-4-5-10-21(19)17-28-25;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h1-11,13-17H;5-8,10-11H,1-4H3;/q2*-1;
InChIKeyZQRKYTYDSKWNPZ-UHFFFAOYSA-N
MW847.57 g/mol
LogP10.67
Rot. Bonds4

About iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane

iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (PubChem CID 166575511) has the molecular formula C42H34GeIrN2O-2 and a molecular weight of 847.57 g/mol. Its IUPAC name is iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Nameiridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
PubChem CID166575511
Molecular FormulaC42H34GeIrN2O-2
Molecular Weight847.57 g/mol
Exact Mass849.15
IUPAC Nameiridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
SMILESCc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc2ccccc2cn1
InChIInChI=1S/C27H16NO.C15H18GeN.Ir/c1-2-7-18(8-3-1)20-13-14-22-23-11-6-12-24(27(23)29-26(22)16-20)25-15-19-9-4-5-10-21(19)17-28-25;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h1-11,13-17H;5-8,10-11H,1-4H3;/q2*-1;
InChIKeyZQRKYTYDSKWNPZ-UHFFFAOYSA-N
XLogP10.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500847.57
LogP ≤ 510.67
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

iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4,5-bis(trideuteriomethyl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171730776
iridium;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-3-yl]phenyl]silane
CID 166574461
iridium;2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166574889
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
iridium;3-[7-(2,3,4-trifluorophenyl)-3H-dibenzofuran-3-id-4-yl]isoquinoline;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166576562
2-[7-(4-fluorophenyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166577647
iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578810
4-tert-butyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166576500
iridium;4-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-[6-(3-methylbenzene-6-id-1-yl)-3-pyridinyl]germane
CID 166577258
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
iridium;4-(8-isoquinolin-3-yl-7H-dibenzofuran-7-id-3-yl)benzonitrile;[6-(3-methoxybenzene-6-id-1-yl)-4-methyl-3-pyridinyl]-trimethylgermane
CID 166576336
3-(2-tert-butyl-6-phenylphenyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzo[f]benzimidazole;[4-(2-deuteriopropan-2-yl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156658147

Frequently Asked Questions

What is the IUPAC name of iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
The IUPAC name of iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane (CID 166575511) is iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
The canonical SMILES for iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.[Ir].[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1cc2ccccc2cn1.
What is the InChIKey of iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
The InChIKey is ZQRKYTYDSKWNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16NO.C15H18GeN.Ir/c1-2-7-18(8-3-1)20-13-14-22-23-11-6-12-24(27(23)29-26(22)16-20)25-15-19-9-4-5-10-21(19)17-28-25;1-12-10-15(13-8-6-5-7-9-13)17-11-14(12)16(2,3)4;/h1-11,13-17H;5-8,10-11H,1-4H3;/q2*-1;.
What are the key properties of iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane?
iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane has a molecular weight of 847.57 g/mol, XLogP of 10.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-(7-phenyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 166575511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).