[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C50H40FGeIrN5O-2 — CID 156667715

IUPAC[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILES[2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc2c(nc1C([2H])([2H])[2H])oc1c(-c3nc4ccc5ncccc5c4n3-c3ccccc3-c3ccccc3)[c-]ccc12.[Ir]
InChIInChI=1S/C35H23N4O.C15H17FGeN.Ir/c1-21-20-28-25-13-8-14-27(33(25)40-35(28)37-22(21)2)34-38-30-18-17-29-26(15-9-19-36-29)32(30)39(34)31-16-7-6-12-24(31)23-10-4-3-5-11-23;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;/h3-13,15-20H,1-2H3;5-6,8-10H,1-4H3;/q2*-1;/i1D3,2D3;1D3;
InChIKeyVXRYSLOWOVQGAY-ZMJULBLGSA-N
MW1019.78 g/mol
LogP12.16
Rot. Bonds8

About [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide

[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 156667715) has the molecular formula C50H40FGeIrN5O-2 and a molecular weight of 1019.78 g/mol. Its IUPAC name is [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

Compound Name[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
PubChem CID156667715
Molecular FormulaC50H40FGeIrN5O-2
Molecular Weight1019.78 g/mol
Exact Mass1021.26
IUPAC Name[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
SMILES[2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc2c(nc1C([2H])([2H])[2H])oc1c(-c3nc4ccc5ncccc5c4n3-c3ccccc3-c3ccccc3)[c-]ccc12.[Ir]
InChIInChI=1S/C35H23N4O.C15H17FGeN.Ir/c1-21-20-28-25-13-8-14-27(33(25)40-35(28)37-22(21)2)34-38-30-18-17-29-26(15-9-19-36-29)32(30)39(34)31-16-7-6-12-24(31)23-10-4-3-5-11-23;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;/h3-13,15-20H,1-2H3;5-6,8-10H,1-4H3;/q2*-1;/i1D3,2D3;1D3;
InChIKeyVXRYSLOWOVQGAY-ZMJULBLGSA-N
XLogP12.16
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.78
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide with MolForge

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Related Compounds

2-fluoro-8-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 164713006
iridium;8-[1-(2-phenylphenyl)benzimidazol-2-yl]-2-propan-2-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156670876
8-[4-(2-deuteriopropan-2-yl)-2-pyridinyl]-2-fluoro-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164712519
[6-[2-fluoro-4-(trideuteriomethyl)benzene-6-id-1-yl]-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;8-[4-phenyl-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 164712495
[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;8-(7-fluoro-1-naphthalen-2-ylbenzimidazol-2-yl)-2-[2-(trideuteriomethyl)phenyl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;iridium
CID 156672371
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;trimethyl-[4-methyl-6-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-3-pyridinyl]germane
CID 166578394
[4-(1,1-dideuterio-2-phenylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-(2-phenylphenyl)benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156669150
8-[3-(2,6-dimethylphenyl)benzo[f]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[6-[2-fluoro-3-(trideuteriomethyl)benzene-6-id-1-yl]-4-propan-2-yl-3-pyridinyl]-trimethylgermane;iridium
CID 156671648
6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156671288
6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671428
4-(2-deuteriopropan-2-yl)-2-(6-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-phenyl-6-phenyl-3-pyridinyl)germane
CID 164712552
6-[1-(2,5-diphenylphenyl)-7-fluorobenzimidazol-2-yl]-7H-[1]benzofuro[3,2-c]pyridin-7-ide;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156671114

Frequently Asked Questions

What is the IUPAC name of [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The IUPAC name of [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 156667715) is [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide.
What is the SMILES notation for [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The canonical SMILES for [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is [2H]C([2H])([2H])c1cc(-c2[c-]cccc2F)ncc1[Ge](C)(C)C.[2H]C([2H])([2H])c1cc2c(nc1C([2H])([2H])[2H])oc1c(-c3nc4ccc5ncccc5c4n3-c3ccccc3-c3ccccc3)[c-]ccc12.[Ir].
What is the InChIKey of [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
The InChIKey is VXRYSLOWOVQGAY-ZMJULBLGSA-N. The full InChI is InChI=1S/C35H23N4O.C15H17FGeN.Ir/c1-21-20-28-25-13-8-14-27(33(25)40-35(28)37-22(21)2)34-38-30-18-17-29-26(15-9-19-36-29)32(30)39(34)31-16-7-6-12-24(31)23-10-4-3-5-11-23;1-11-9-15(12-7-5-6-8-13(12)16)18-10-14(11)17(2,3)4;/h3-13,15-20H,1-2H3;5-6,8-10H,1-4H3;/q2*-1;/i1D3,2D3;1D3;.
What are the key properties of [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide?
[6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 1019.78 g/mol, XLogP of 12.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-fluorobenzene-6-id-1-yl)-4-(trideuteriomethyl)-3-pyridinyl]-trimethylgermane;iridium;8-[1-(2-phenylphenyl)imidazo[4,5-f]quinolin-2-yl]-2,3-bis(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 156667715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).