8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

C53H45FGeIrN4O-2 — CID 156671429

IUPAC8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(F)c4ccccc34)[c-]ccc12.[Ir]
InChIInChI=1S/C35H21FN3O.C18H24GeN.Ir/c1-21-18-19-26-25-14-9-15-27(33(25)40-35(26)37-21)34-38-30-16-7-8-17-31(30)39(34)32-24-13-6-5-12-23(24)29(36)20-28(32)22-10-3-2-4-11-22;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h2-14,16-20H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyDBCDPQCOVJPWEM-UHFFFAOYSA-N
MW1037.79 g/mol
LogP13.34
Rot. Bonds7

About 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane

8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (PubChem CID 156671429) has the molecular formula C53H45FGeIrN4O-2 and a molecular weight of 1037.79 g/mol. Its IUPAC name is 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.

Molecular Properties

Compound Name8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
PubChem CID156671429
Molecular FormulaC53H45FGeIrN4O-2
Molecular Weight1037.79 g/mol
Exact Mass1039.24
IUPAC Name8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
SMILESCC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(F)c4ccccc34)[c-]ccc12.[Ir]
InChIInChI=1S/C35H21FN3O.C18H24GeN.Ir/c1-21-18-19-26-25-14-9-15-27(33(25)40-35(26)37-21)34-38-30-16-7-8-17-31(30)39(34)32-24-13-6-5-12-23(24)29(36)20-28(32)22-10-3-2-4-11-22;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h2-14,16-20H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;
InChIKeyDBCDPQCOVJPWEM-UHFFFAOYSA-N
XLogP13.34
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001037.79
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156668232
2-fluoro-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671658
iridium;2-phenyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156669944
8-[1-(2-tert-butyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156672260
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-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 156668951
8-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane
CID 156671354
8-[1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 156667971
8-[1-(2,6-dimethyl-4-phenylphenyl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium
CID 166499117
[6-(3-tert-butylbenzene-6-id-1-yl)-4-(2-methylpropyl)-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 156671159
[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
iridium;2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;trimethyl-[4-(5-methylfuran-2-yl)-6-phenyl-3-pyridinyl]germane
CID 156669410

Frequently Asked Questions

What is the IUPAC name of 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The IUPAC name of 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane (CID 156671429) is 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane.
What is the SMILES notation for 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The canonical SMILES for 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(-c4ccccc4)cc(F)c4ccccc34)[c-]ccc12.[Ir].
What is the InChIKey of 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
The InChIKey is DBCDPQCOVJPWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21FN3O.C18H24GeN.Ir/c1-21-18-19-26-25-14-9-15-27(33(25)40-35(26)37-21)34-38-30-16-7-8-17-31(30)39(34)32-24-13-6-5-12-23(24)29(36)20-28(32)22-10-3-2-4-11-22;1-14(2)11-16-12-18(15-9-7-6-8-10-15)20-13-17(16)19(3,4)5;/h2-14,16-20H,1H3;6-9,12-14H,11H2,1-5H3;/q2*-1;.
What are the key properties of 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane?
8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane has a molecular weight of 1037.79 g/mol, XLogP of 13.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(4-fluoro-2-phenylnaphthalen-1-yl)benzimidazol-2-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]germane is sourced from PubChem (CID 156671429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).