iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane

C49H35F3GeIrN4O-2 — CID 156671121

IUPACiridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4cnc3c12.[Ir]
InChIInChI=1S/C35H19F3N3O.C14H16GeN.Ir/c36-35(37,38)26-19-18-25(32-30(26)31-33(42-32)24-14-5-4-12-22(24)20-39-31)34-40-27-15-7-9-17-29(27)41(34)28-16-8-6-13-23(28)21-10-2-1-3-11-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-17,19-20H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyDMQNETGKJLCTDO-UHFFFAOYSA-N
MW1017.67 g/mol
LogP12.72
Rot. Bonds5

About iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane

iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156671121) has the molecular formula C49H35F3GeIrN4O-2 and a molecular weight of 1017.67 g/mol. Its IUPAC name is iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Nameiridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156671121
Molecular FormulaC49H35F3GeIrN4O-2
Molecular Weight1017.67 g/mol
Exact Mass1019.16
IUPAC Nameiridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4cnc3c12.[Ir]
InChIInChI=1S/C35H19F3N3O.C14H16GeN.Ir/c36-35(37,38)26-19-18-25(32-30(26)31-33(42-32)24-14-5-4-12-22(24)20-39-31)34-40-27-15-7-9-17-29(27)41(34)28-16-8-6-13-23(28)21-10-2-1-3-11-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-17,19-20H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyDMQNETGKJLCTDO-UHFFFAOYSA-N
XLogP12.72
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.67
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane with MolForge

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Related Compounds

3-[8-[(2,6-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]quinoline
CID 121308783
N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-[[5-[3-[2-[2-(1-piperidin-1-ylethyl)benzimidazol-1-yl]ethoxy]phenyl]pyridin-2-yl]methyl]propan-2-amine
CID 139322998
23,25-Difluoro-3-methyl-26-(1-methylpyridin-1-ium-2-yl)-15-propan-2-yl-21-oxa-10,18,24-triaza-3-azoniaheptacyclo[15.12.0.02,10.04,9.011,16.020,29.022,27]nonacosa-1(29),2,4,6,8,11,13,15,17,19,22,24,26-tridecaene
CID 146857712
23,25-Difluoro-3-methyl-26-[(1-methylpyridin-1-ium-2-yl)methyl]-15-propan-2-yl-21-oxa-10,18,24-triaza-3-azoniaheptacyclo[15.12.0.02,10.04,9.011,16.020,29.022,27]nonacosa-1(29),2,4,6,8,11,13,15,17,19,22,24,26-tridecaene
CID 148749802
N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-[[4-[1-(2-phenoxyethyl)-2-(1-piperidin-1-ylethyl)benzimidazol-5-yl]pyridin-2-yl]methyl]propan-2-amine
CID 156256576
iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)germane
CID 156657576
iridium;1-(2-phenylphenyl)-2-[7-(trifluoromethyl)-9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl]benzimidazole;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156659068
iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 156667924
2-[4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[7-phenyl-1-(trifluoromethyl)-3H-dibenzofuran-3-id-4-yl]benzimidazole
CID 169299566
1-[2,6-di(propan-2-yl)phenyl]-2-[2-phenyl-8-(trifluoromethyl)-4H-[1]benzofuro[6,7-b][1]benzofuran-4-id-5-yl]benzimidazole;iridium;2-phenylpyridine
CID 171426243
iridium;1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[2-phenyl-8-(trifluoromethyl)-4H-[1]benzofuro[6,7-b][1]benzofuran-4-id-5-yl]benzimidazole;2-phenylpyridine
CID 171426249
iridium;2-[3-methyl-2-phenyl-8-(trifluoromethyl)-4H-[1]benzofuro[6,7-b][1]benzofuran-4-id-5-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 171426292

Frequently Asked Questions

What is the IUPAC name of iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156671121) is iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1c[c-]c(-c2nc3ccccc3n2-c2ccccc2-c2ccccc2)c2oc3c4ccccc4cnc3c12.[Ir].
What is the InChIKey of iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is DMQNETGKJLCTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19F3N3O.C14H16GeN.Ir/c36-35(37,38)26-19-18-25(32-30(26)31-33(42-32)24-14-5-4-12-22(24)20-39-31)34-40-27-15-7-9-17-29(27)41(34)28-16-8-6-13-23(28)21-10-2-1-3-11-21;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-17,19-20H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane?
iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 1017.67 g/mol, XLogP of 12.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;10-[1-(2-phenylphenyl)benzimidazol-2-yl]-7-(trifluoromethyl)-9H-[1]benzofuro[3,2-c]isoquinolin-9-ide;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156671121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).