iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane

C44H35GeIrN3O-2 — CID 170531513

IUPACiridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2cc3c(cn2)c2ccccc2n3-c2ccccc2)c2oc3ccccc3c12.[Ir]
InChIInChI=1S/C30H19N2O.C14H16GeN.Ir/c1-19-15-16-22(30-29(19)23-12-6-8-14-28(23)33-30)25-17-27-24(18-31-25)21-11-5-7-13-26(21)32(27)20-9-3-2-4-10-20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-15,17-18H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyWKPCZBWEWFRRDG-UHFFFAOYSA-N
MW886.61 g/mol
LogP10.95
Rot. Bonds4

About iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 170531513) has the molecular formula C44H35GeIrN3O-2 and a molecular weight of 886.61 g/mol. Its IUPAC name is iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Nameiridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID170531513
Molecular FormulaC44H35GeIrN3O-2
Molecular Weight886.61 g/mol
Exact Mass888.16
IUPAC Nameiridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2cc3c(cn2)c2ccccc2n3-c2ccccc2)c2oc3ccccc3c12.[Ir]
InChIInChI=1S/C30H19N2O.C14H16GeN.Ir/c1-19-15-16-22(30-29(19)23-12-6-8-14-28(23)33-30)25-17-27-24(18-31-25)21-11-5-7-13-26(21)32(27)20-9-3-2-4-10-20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-15,17-18H,1H3;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyWKPCZBWEWFRRDG-UHFFFAOYSA-N
XLogP10.95
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.61
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;6-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]pyridine;2-phenylpyridine
CID 164825769
8-(1-dibenzothiophen-3-ylbenzimidazol-2-yl)-5-methyl-2-phenyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156672203
iridium;3-methyl-2-(1-methyl-3H-dibenzofuran-3-id-4-yl)imidazo[4,5-c]pyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156657863
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-dimethylphenyl)benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657608
2-(3H-dibenzofuran-3-id-4-yl)-1-naphthalen-2-ylbenzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156658533
iridium;4-methyl-2-(9-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166574116
2-(3H-dibenzofuran-3-id-4-yl)-1-phenylbenzimidazole;[6-(3H-dibenzofuran-3-id-4-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 156660073
CID 166588083
CID 166588083
2-(3H-dibenzofuran-3-id-4-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)-5-(trideuteriomethyl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 171730805
iridium;4-methyl-5-phenyl-2-(6-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 166577176
iridium;4-(2-methylpropyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574508
iridium;5-methyl-2-(1-methyl-7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-phenylimidazo[4,5-c]isoquinoline;2-phenylpyridine
CID 164826548

Frequently Asked Questions

What is the IUPAC name of iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 170531513) is iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Cc1c[c-]c(-c2cc3c(cn2)c2ccccc2n3-c2ccccc2)c2oc3ccccc3c12.[Ir].
What is the InChIKey of iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is WKPCZBWEWFRRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N2O.C14H16GeN.Ir/c1-19-15-16-22(30-29(19)23-12-6-8-14-28(23)33-30)25-17-27-24(18-31-25)21-11-5-7-13-26(21)32(27)20-9-3-2-4-10-20;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h2-15,17-18H,1H3;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane?
iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 886.61 g/mol, XLogP of 10.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 170531513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).