iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane

C20H18GeIrNS- — CID 166018674

IUPACiridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane
SMILESC[Ge](C)(C)c1ccc2sc3cnc(-c4[c-]cccc4)cc3c2c1.[Ir]
InChIInChI=1S/C20H18GeNS.Ir/c1-21(2,3)15-9-10-19-16(11-15)17-12-18(22-13-20(17)23-19)14-7-5-4-6-8-14;/h4-7,9-13H,1-3H3;/q-1;
InChIKeyRYHUVHKOUYNGTO-UHFFFAOYSA-N
MW569.27 g/mol
LogP5.46
Rot. Bonds2

About iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane

iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane (PubChem CID 166018674) has the molecular formula C20H18GeIrNS- and a molecular weight of 569.27 g/mol. Its IUPAC name is iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane.

Molecular Properties

Compound Nameiridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane
PubChem CID166018674
Molecular FormulaC20H18GeIrNS-
Molecular Weight569.27 g/mol
Exact Mass571.00
IUPAC Nameiridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane
SMILESC[Ge](C)(C)c1ccc2sc3cnc(-c4[c-]cccc4)cc3c2c1.[Ir]
InChIInChI=1S/C20H18GeNS.Ir/c1-21(2,3)15-9-10-19-16(11-15)17-12-18(22-13-20(17)23-19)14-7-5-4-6-8-14;/h4-7,9-13H,1-3H3;/q-1;
InChIKeyRYHUVHKOUYNGTO-UHFFFAOYSA-N
XLogP5.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.27
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;trimethyl-(6-phenyl-3-pyridinyl)silane;trimethyl-[8-(4-propan-2-yl-2-pyridinyl)-7H-dibenzothiophen-7-id-2-yl]germane
CID 164832483
iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171435755
iridium;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574587
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 169038565
iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575203
(9,9-dimethyl-3-phenylindeno[2,1-c]pyridin-6-yl)-trimethylgermane;iridium;2-phenylpyridine
CID 166018702
iridium;4-(3-methylbutan-2-yl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574084
iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)germane
CID 166499170
4-(10,14-dithiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaen-2-yl)-2-phenylpyridine;iridium
CID 164802773
4-tert-butyl-2-(9-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577225
CID 169291878
CID 169291878

Frequently Asked Questions

What is the IUPAC name of iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane?
The IUPAC name of iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane (CID 166018674) is iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane.
What is the SMILES notation for iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane?
The canonical SMILES for iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane is C[Ge](C)(C)c1ccc2sc3cnc(-c4[c-]cccc4)cc3c2c1.[Ir].
What is the InChIKey of iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane?
The InChIKey is RYHUVHKOUYNGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18GeNS.Ir/c1-21(2,3)15-9-10-19-16(11-15)17-12-18(22-13-20(17)23-19)14-7-5-4-6-8-14;/h4-7,9-13H,1-3H3;/q-1;.
What are the key properties of iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane?
iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane has a molecular weight of 569.27 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane is sourced from PubChem (CID 166018674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).