iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane

C37H31GeIrN3-2 — CID 166018565

IUPACiridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane
SMILESC[Ge](C)(C)c1cccc2c3cnc(-c4[c-]cccc4)cc3n(-c3ccccc3)c12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H23GeN2.C11H8N.Ir/c1-27(2,3)23-16-10-15-21-22-18-28-24(19-11-6-4-7-12-19)17-25(22)29(26(21)23)20-13-8-5-9-14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-11,13-18H,1-3H3;1-6,8-9H;/q2*-1;
InChIKeyYGVGVSIJZGOVLM-UHFFFAOYSA-N
MW782.50 g/mol
LogP8.74
Rot. Bonds4

About iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane

iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane (PubChem CID 166018565) has the molecular formula C37H31GeIrN3-2 and a molecular weight of 782.50 g/mol. Its IUPAC name is iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane.

Molecular Properties

Compound Nameiridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane
PubChem CID166018565
Molecular FormulaC37H31GeIrN3-2
Molecular Weight782.50 g/mol
Exact Mass784.14
IUPAC Nameiridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane
SMILESC[Ge](C)(C)c1cccc2c3cnc(-c4[c-]cccc4)cc3n(-c3ccccc3)c12.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C26H23GeN2.C11H8N.Ir/c1-27(2,3)23-16-10-15-21-22-18-28-24(19-11-6-4-7-12-19)17-25(22)29(26(21)23)20-13-8-5-9-14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-11,13-18H,1-3H3;1-6,8-9H;/q2*-1;
InChIKeyYGVGVSIJZGOVLM-UHFFFAOYSA-N
XLogP8.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.50
LogP ≤ 58.74
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;trimethyl-(5-phenyl-1-phenylpyrido[4,3-b]indol-6-yl)germane
CID 166018611
iridium;2-phenylpyridine;9-phenyl-3-[3-[3-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]phenyl]carbazole
CID 153423282
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;iridium;2-phenylpyridine
CID 161358611
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole;iridium(3+);tris(2-phenylpyridine)
CID 161087600
iridium;4-methyl-1-phenyl-2-phenylimidazo[4,5-c]quinoline;2-phenylpyridine
CID 164827342
iridium;2-phenylpyridine;9-(3-pyridin-2-ylbenzene-4-id-1-yl)carbazole
CID 21042137
dimethyl(phosphanyl)phosphane;iridium;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole;4-phenyl-2-phenylpyridine;2-phenylpyridine
CID 158033018
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
iridium;2-phenylpyridine;9-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]carbazole
CID 153423489
iridium;3-(1-methyl-3H-dibenzofuran-3-id-4-yl)-5-phenylpyrido[4,3-b]indole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 170531513
iridium;5-methyl-1-phenyl-2-phenylimidazo[4,5-b]pyridine;2-phenylpyridine
CID 164827189

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane?
The IUPAC name of iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane (CID 166018565) is iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane.
What is the SMILES notation for iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane?
The canonical SMILES for iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane is C[Ge](C)(C)c1cccc2c3cnc(-c4[c-]cccc4)cc3n(-c3ccccc3)c12.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane?
The InChIKey is YGVGVSIJZGOVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23GeN2.C11H8N.Ir/c1-27(2,3)23-16-10-15-21-22-18-28-24(19-11-6-4-7-12-19)17-25(22)29(26(21)23)20-13-8-5-9-14-20;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h4-11,13-18H,1-3H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane?
iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane has a molecular weight of 782.50 g/mol, XLogP of 8.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylpyridine;trimethyl-(5-phenyl-3-phenylpyrido[4,3-b]indol-6-yl)germane is sourced from PubChem (CID 166018565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).