iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

C43H34GeIrN2S-2 — CID 171435755

IUPACiridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1c(-c2cc(-c3ccccc3)ccn2)ccc2c1sc1ccc(-c3ccccc3)cc12
InChIInChI=1S/C29H18NS.C14H16GeN.Ir/c1-3-7-20(8-4-1)22-12-14-28-26(17-22)25-13-11-24(19-29(25)31-28)27-18-23(15-16-30-27)21-9-5-2-6-10-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-18H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyJKJCRHNYPPTLMA-UHFFFAOYSA-N
MW875.65 g/mol
LogP11.34
Rot. Bonds5

About iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 171435755) has the molecular formula C43H34GeIrN2S-2 and a molecular weight of 875.65 g/mol. Its IUPAC name is iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Nameiridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID171435755
Molecular FormulaC43H34GeIrN2S-2
Molecular Weight875.65 g/mol
Exact Mass877.13
IUPAC Nameiridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1c(-c2cc(-c3ccccc3)ccn2)ccc2c1sc1ccc(-c3ccccc3)cc12
InChIInChI=1S/C29H18NS.C14H16GeN.Ir/c1-3-7-20(8-4-1)22-12-14-28-26(17-22)25-13-11-24(19-29(25)31-28)27-18-23(15-16-30-27)21-9-5-2-6-10-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-18H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyJKJCRHNYPPTLMA-UHFFFAOYSA-N
XLogP11.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500875.65
LogP ≤ 511.34
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;4-pentan-3-yl-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574587
iridium;4-phenyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578543
iridium;4-(3-methylbutan-2-yl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574084
4-(cyclohexylmethyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 169038565
4-(2,2-dimethylpropyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574875
iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575203
4-(2-deuteriopropan-2-yl)-2-(7-phenyl-4H-dibenzofuran-4-id-3-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575644
iridium;trimethyl-(3-phenyl-[1]benzothiolo[2,3-c]pyridin-6-yl)germane
CID 166018674
iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-2-yl)-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166577806
iridium;4-(3-methylbutan-2-yl)-2-(7-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166576791
4-(2,2-dimethylpropyl)-2-(2-methyl-8-naphthalen-1-yl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171436009
iridium;2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)-4-(2,3,3-trimethylbutan-2-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574432

Frequently Asked Questions

What is the IUPAC name of iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 171435755) is iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].[c-]1c(-c2cc(-c3ccccc3)ccn2)ccc2c1sc1ccc(-c3ccccc3)cc12.
What is the InChIKey of iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is JKJCRHNYPPTLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18NS.C14H16GeN.Ir/c1-3-7-20(8-4-1)22-12-14-28-26(17-22)25-13-11-24(19-29(25)31-28)27-18-23(15-16-30-27)21-9-5-2-6-10-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-18H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane?
iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 875.65 g/mol, XLogP of 11.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-phenyl-2-(8-phenyl-4H-dibenzothiophen-4-id-3-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 171435755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).