1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

C58H41F4GeIrN3O-2 — CID 156660200

IUPAC1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir]
InChIInChI=1S/C44H25F4N2O.C14H16GeN.Ir/c45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-13,15-26H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyVJALUXPQRXLEIG-UHFFFAOYSA-N
MW1136.80 g/mol
LogP15.64
Rot. Bonds7

About 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane

1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (PubChem CID 156660200) has the molecular formula C58H41F4GeIrN3O-2 and a molecular weight of 1136.80 g/mol. Its IUPAC name is 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.

Molecular Properties

Compound Name1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
PubChem CID156660200
Molecular FormulaC58H41F4GeIrN3O-2
Molecular Weight1136.80 g/mol
Exact Mass1138.20
IUPAC Name1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane
SMILESC[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir]
InChIInChI=1S/C44H25F4N2O.C14H16GeN.Ir/c45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-13,15-26H;4-7,9-11H,1-3H3;/q2*-1;
InChIKeyVJALUXPQRXLEIG-UHFFFAOYSA-N
XLogP15.64
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001136.80
LogP ≤ 515.64
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

6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993190
6-(4-fluorophenoxy)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-3-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993243
N-[3-[3-(4-methoxyphenyl)-1-[6-(methylamino)pyrimidin-4-yl]indol-6-yl]phenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 50992089
5-[[4-(1-Benzofuran-2-yl)phenyl]methyl]-2-(2,3-difluorophenyl)imidazo[4,5-c]pyridine
CID 59130543
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;iridium
CID 59358466
7-(8-carbazol-9-yldibenzofuran-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxy-3-[4-(2-methylbutoxy)phenyl]pent-3-en-2-one;platinum
CID 59359359
[(3S)-3-[[2-[4-(1-benzofuran-5-yl)phenyl]-7-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579556
[(3R)-3-[[2-[4-(1-benzofuran-5-yl)phenyl]-7-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579557
[(3S)-3-[[2-[4-(1-benzofuran-5-yl)phenyl]-4-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579885
[(3R)-3-[[2-[4-(1-benzofuran-5-yl)phenyl]-4-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579886
5-[1-Biphenyl-4-ylmethyl-4,6-difluoro-5-(1-methyl-1H-indol-5-yl)-1H-benzoimidazol-2-yloxy]-2-methyl-benzoic acid methyl ester
CID 68573967
[3-[[2-[4-(1-Benzofuran-5-yl)phenyl]-7-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 77147541

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The IUPAC name of 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane (CID 156660200) is 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane.
What is the SMILES notation for 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The canonical SMILES for 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.Fc1cccc2nc(-c3[c-]ccc4c3oc3ccc(-c5ccc(C(F)(F)F)cc5)cc34)n(-c3cc(-c4ccccc4)ccc3-c3ccccc3)c12.[Ir].
What is the InChIKey of 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
The InChIKey is VJALUXPQRXLEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25F4N2O.C14H16GeN.Ir/c45-37-15-8-16-38-41(37)50(39-26-31(27-9-3-1-4-10-27)19-23-33(39)29-11-5-2-6-12-29)43(49-38)35-14-7-13-34-36-25-30(20-24-40(36)51-42(34)35)28-17-21-32(22-18-28)44(46,47)48;1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;/h1-13,15-26H;4-7,9-11H,1-3H3;/q2*-1;.
What are the key properties of 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane?
1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane has a molecular weight of 1136.80 g/mol, XLogP of 15.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diphenylphenyl)-7-fluoro-2-[8-[4-(trifluoromethyl)phenyl]-3H-dibenzofuran-3-id-4-yl]benzimidazole;iridium;trimethyl-(6-phenyl-3-pyridinyl)germane is sourced from PubChem (CID 156660200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).