3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C40H34GeIrN2S-2 — CID 170531528

IUPAC3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCC1(C)c2ccccc2-c2cnc(-c3[c-]ccc4c3sc3ccccc34)cc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C26H18NS.C14H16GeN.Ir/c1-26(2)21-12-5-3-8-16(21)20-15-27-23(14-22(20)26)19-11-7-10-18-17-9-4-6-13-24(17)28-25(18)19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-10,12-15H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyWIWLOKWCXDIBJP-UHFFFAOYSA-N
MW839.62 g/mol
LogP10.31
Rot. Bonds3

About 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 170531528) has the molecular formula C40H34GeIrN2S-2 and a molecular weight of 839.62 g/mol. Its IUPAC name is 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID170531528
Molecular FormulaC40H34GeIrN2S-2
Molecular Weight839.62 g/mol
Exact Mass841.13
IUPAC Name3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESCC1(C)c2ccccc2-c2cnc(-c3[c-]ccc4c3sc3ccccc34)cc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir]
InChIInChI=1S/C26H18NS.C14H16GeN.Ir/c1-26(2)21-12-5-3-8-16(21)20-15-27-23(14-22(20)26)19-11-7-10-18-17-9-4-6-13-24(17)28-25(18)19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-10,12-15H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyWIWLOKWCXDIBJP-UHFFFAOYSA-N
XLogP10.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.62
LogP ≤ 510.31
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

3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 170531556
4-(2-deuteriopropan-2-yl)-2-(3H-dibenzothiophen-3-id-4-yl)-5-fluoropyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 164712996
iridium;4-methyl-5-phenyl-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575203
4,5-bis(trideuteriomethyl)-2-[6-(trideuteriomethyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171730757
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-(2-deuteriopropan-2-yl)-2-[7-(2-methylphenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 165170595
4-(2-deuteriopropan-2-yl)-2-[7-(2-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 165170677
iridium;4-phenyl-2-(1-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166578543
4-(2-deuteriopropan-2-yl)-2-[6-(4-fluorophenyl)-3H-dibenzothiophen-3-id-4-yl]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574006
4-(2,2-dimethylpropyl)-2-(8-phenyl-3H-dibenzothiophen-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574875
4-(2-deuteriopropan-2-yl)-2-(7-phenyl-3H-dibenzothiophen-3-id-4-yl)-5-(trideuteriomethyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166575536
CID 169291878
CID 169291878

Frequently Asked Questions

What is the IUPAC name of 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 170531528) is 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is CC1(C)c2ccccc2-c2cnc(-c3[c-]ccc4c3sc3ccccc34)cc21.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.[Ir].
What is the InChIKey of 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is WIWLOKWCXDIBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18NS.C14H16GeN.Ir/c1-26(2)21-12-5-3-8-16(21)20-15-27-23(14-22(20)26)19-11-7-10-18-17-9-4-6-13-24(17)28-25(18)19;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h3-10,12-15H,1-2H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 839.62 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-dibenzothiophen-3-id-4-yl)-5,5-dimethylindeno[1,2-c]pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 170531528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).