7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole

C58H51FIrN4O-2 — CID 169301265

IUPAC7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC1(C)c2cc(F)c[c-]c2-n2nccc2C1(C)C.[Ir]
InChIInChI=1S/C43H35N2O.C15H16FN2.Ir/c1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;1-14(2)11-9-10(16)5-6-12(11)18-13(7-8-17-18)15(14,3)4;/h5-18,20-28H,1-4H3;5,7-9H,1-4H3;/q2*-1;
InChIKeyMJHQSQCWDNSWBL-UHFFFAOYSA-N
MW1031.29 g/mol
LogP15.35
Rot. Bonds6

About 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole

7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole (PubChem CID 169301265) has the molecular formula C58H51FIrN4O-2 and a molecular weight of 1031.29 g/mol. Its IUPAC name is 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
PubChem CID169301265
Molecular FormulaC58H51FIrN4O-2
Molecular Weight1031.29 g/mol
Exact Mass1031.37
IUPAC Name7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC1(C)c2cc(F)c[c-]c2-n2nccc2C1(C)C.[Ir]
InChIInChI=1S/C43H35N2O.C15H16FN2.Ir/c1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;1-14(2)11-9-10(16)5-6-12(11)18-13(7-8-17-18)15(14,3)4;/h5-18,20-28H,1-4H3;5,7-9H,1-4H3;/q2*-1;
InChIKeyMJHQSQCWDNSWBL-UHFFFAOYSA-N
XLogP15.35
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.29
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-fluoro-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 170931355
4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)pyridine;2-[7-(4-tert-butylphenyl)-3H-dibenzofuran-3-id-4-yl]-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium
CID 176583706
4-tert-butyl-2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;trimethyl-[4-[4-[2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazol-1-yl]-3,5-di(propan-2-yl)phenyl]phenyl]silane
CID 170537702
[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170537757
iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;2-phenylpyridine
CID 167388197
(Z)-4-hydroxypent-3-en-2-one;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 172504518
iridium;6-[1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-ide-3-carbonitrile;5,5,6,6-tetramethyl-10H-benzo[h]quinolin-10-ide
CID 169301287
7-fluoro-9H-[1]benzothiolo[3,2-b]pyridin-9-ide;iridium;3-[6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-dibenzofuran-7-id-3-yl]benzonitrile
CID 169301282
4-(2-deuteriopropan-2-yl)-2-phenylpyridine;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole
CID 170941238
2-(3H-dibenzofuran-3-id-4-yl)-1-[4-(4-phenylphenyl)-2,6-di(propan-2-yl)phenyl]benzimidazole;iridium;2-phenylpyridine
CID 167387978
1-[4-(4-tert-butylphenyl)-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;[6-(4-fluorobenzene-6-id-1-yl)-3-pyridinyl]-trimethylgermane;iridium
CID 170537733
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(4-fluorobenzene-6-id-1-yl)pyridine;1-[4-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-2,6-di(propan-2-yl)phenyl]-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)benzimidazole;iridium
CID 170537668

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The IUPAC name of 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole (CID 169301265) is 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole.
What is the SMILES notation for 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The canonical SMILES for 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)nc2ccccc21.CC1(C)c2cc(F)c[c-]c2-n2nccc2C1(C)C.[Ir].
What is the InChIKey of 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
The InChIKey is MJHQSQCWDNSWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35N2O.C15H16FN2.Ir/c1-27(2)36-24-32(30-16-9-6-10-17-30)25-37(28(3)4)41(36)45-39-21-12-11-20-38(39)44-43(45)35-19-13-18-34-33-23-22-31(26-40(33)46-42(34)35)29-14-7-5-8-15-29;1-14(2)11-9-10(16)5-6-12(11)18-13(7-8-17-18)15(14,3)4;/h5-18,20-28H,1-4H3;5,7-9H,1-4H3;/q2*-1;.
What are the key properties of 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole?
7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole has a molecular weight of 1031.29 g/mol, XLogP of 15.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4,4,5,5-tetramethyl-9H-pyrazolo[1,5-a]quinolin-9-ide;iridium;2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazole is sourced from PubChem (CID 169301265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).