3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline

C103H67FIr5N5-5 — CID 162181208

IUPAC3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline
SMILESCc1c[c-]c(-c2ccc3c(ccc4ccccc43)n2)cc1.Cc1cc[c-]c(-c2ccc3c(ccc4ccccc43)n2)c1.Fc1c[c-]c(-c2ccc3c(ccc4ccccc43)n2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1.[c-]1ccccc1-c1ccc2c(ccc3ccccc32)n1
InChIInChI=1S/C25H16N.2C20H14N.C19H11FN.C19H12N.5Ir/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23;1-14-5-4-7-16(13-14)19-12-10-18-17-8-3-2-6-15(17)9-11-20(18)21-19;1-14-6-8-16(9-7-14)19-13-11-18-17-5-3-2-4-15(17)10-12-20(18)21-19;20-15-8-5-14(6-9-15)18-12-10-17-16-4-2-1-3-13(16)7-11-19(17)21-18;1-2-7-15(8-3-1)18-13-11-17-16-9-5-4-6-14(16)10-12-19(17)20-18;;;;;/h1-12,14-17H;2-6,8-13H,1H3;2-8,10-13H,1H3;1-5,7-12H;1-7,9-13H;;;;;/q5*-1;;;;;
InChIKeyCXINGUVUNYIJJS-UHFFFAOYSA-N
MW2354.79 g/mol
LogP26.69
Rot. Bonds6

About 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline

3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline (PubChem CID 162181208) has the molecular formula C103H67FIr5N5-5 and a molecular weight of 2354.79 g/mol. Its IUPAC name is 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline
PubChem CID162181208
Molecular FormulaC103H67FIr5N5-5
Molecular Weight2354.79 g/mol
Exact Mass2357.36
IUPAC Name3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline
SMILESCc1c[c-]c(-c2ccc3c(ccc4ccccc43)n2)cc1.Cc1cc[c-]c(-c2ccc3c(ccc4ccccc43)n2)c1.Fc1c[c-]c(-c2ccc3c(ccc4ccccc43)n2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1.[c-]1ccccc1-c1ccc2c(ccc3ccccc32)n1
InChIInChI=1S/C25H16N.2C20H14N.C19H11FN.C19H12N.5Ir/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23;1-14-5-4-7-16(13-14)19-12-10-18-17-8-3-2-6-15(17)9-11-20(18)21-19;1-14-6-8-16(9-7-14)19-13-11-18-17-5-3-2-4-15(17)10-12-20(18)21-19;20-15-8-5-14(6-9-15)18-12-10-17-16-4-2-1-3-13(16)7-11-19(17)21-18;1-2-7-15(8-3-1)18-13-11-17-16-9-5-4-6-14(16)10-12-19(17)20-18;;;;;/h1-12,14-17H;2-6,8-13H,1H3;2-8,10-13H,1H3;1-5,7-12H;1-7,9-13H;;;;;/q5*-1;;;;;
InChIKeyCXINGUVUNYIJJS-UHFFFAOYSA-N
XLogP26.69
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002354.79
LogP ≤ 526.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline with MolForge

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Related Compounds

3-(4-fluorophenyl)-1-phenylbenzo[f]quinoline
CID 17202000
2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;4-methyl-2-phenylquinoline;pentane-2,4-dione;2-(4-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine);pyridine-2-carboxylic acid
CID 159424922
2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;6-fluoro-4-(2-methylpropyl)-2-phenylquinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;tris(4-hydroxypent-3-en-2-one);tetrakis(iridium);6-methyl-2-(3-methylbenzene-6-id-1-yl)-4-(4-methylphenyl)quinoline;6-methyl-2-(4-methylbenzene-6-id-1-yl)-4-(4-methylphenyl)quinoline
CID 158331007
iridium;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylbenzo[f]isoquinoline
CID 59470354
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;4-(4-fluorophenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline;5-(4-fluorophenyl)-2-phenylquinoline;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium)
CID 160744997
[6-(4-tert-butylbenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;2-(3,5-dimethylbenzene-6-id-1-yl)quinoline;4-(4-fluorophenyl)-2-(4-methylbenzene-6-id-1-yl)quinoline;4-hydroxypent-3-en-2-one;tetrakis(iridium);2-(4-methylbenzene-6-id-1-yl)-4-phenylquinoline;phenyl-(6-phenyl-3-pyridinyl)methanone;bis(2-phenylquinoline)
CID 162057448
2-[3-(2,5-dimethylphenyl)benzene-6-id-1-yl]pyridine;pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)isoquinoline;tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);2-(4-methylbenzene-6-id-1-yl)pyridine;bis(5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-phenylpyridine
CID 160791944
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
iridium;4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-methyl-2-phenylpyridine
CID 162470285
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;tris(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(3-methylbenzene-6-id-1-yl)pyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylphenol;2-phenylpyridine;platinum;2-(3-pyridin-2-ylbenzene-2-id-1-yl)pyridine
CID 158403336
iridium;5-methyl-2-(4-methylbenzene-6-id-1-yl)-4-phenylpyridine;2-(3-phenanthren-9-ylbenzene-6-id-1-yl)pyridine
CID 172506624
4-(4-fluorobenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-fluorophenyl)benzo[f]isoquinolin-3-ium;tetrakis(4-hydroxypent-3-en-2-ylideneoxidanium);tetrakis(iridium);4-(3-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;4-(4-methylbenzene-6-id-1-yl)benzo[f]isoquinoline;7-methyl-4-phenylbenzo[f]isoquinoline;4-(3-methylphenyl)benzo[f]isoquinolin-3-ium;4-(4-methylphenyl)benzo[f]isoquinolin-3-ium;4-phenylbenzo[f]isoquinolin-3-ium
CID 160896633

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline?
The IUPAC name of 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline (CID 162181208) is 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline.
What is the SMILES notation for 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline?
The canonical SMILES for 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline is Cc1c[c-]c(-c2ccc3c(ccc4ccccc43)n2)cc1.Cc1cc[c-]c(-c2ccc3c(ccc4ccccc43)n2)c1.Fc1c[c-]c(-c2ccc3c(ccc4ccccc43)n2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2c(ccc3ccccc32)n1.[c-]1ccccc1-c1ccc2c(ccc3ccccc32)n1.
What is the InChIKey of 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline?
The InChIKey is CXINGUVUNYIJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N.2C20H14N.C19H11FN.C19H12N.5Ir/c1-3-9-18(10-4-1)22-17-24(20-12-5-2-6-13-20)26-23-16-15-19-11-7-8-14-21(19)25(22)23;1-14-5-4-7-16(13-14)19-12-10-18-17-8-3-2-6-15(17)9-11-20(18)21-19;1-14-6-8-16(9-7-14)19-13-11-18-17-5-3-2-4-15(17)10-12-20(18)21-19;20-15-8-5-14(6-9-15)18-12-10-17-16-4-2-1-3-13(16)7-11-19(17)21-18;1-2-7-15(8-3-1)18-13-11-17-16-9-5-4-6-14(16)10-12-19(17)20-18;;;;;/h1-12,14-17H;2-6,8-13H,1H3;2-8,10-13H,1H3;1-5,7-12H;1-7,9-13H;;;;;/q5*-1;;;;;.
What are the key properties of 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline?
3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline has a molecular weight of 2354.79 g/mol, XLogP of 26.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorobenzene-6-id-1-yl)benzo[f]quinoline;pentakis(iridium);3-(3-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-(4-methylbenzene-6-id-1-yl)benzo[f]quinoline;3-phenylbenzo[f]quinoline;1-phenyl-3-phenylbenzo[f]quinoline is sourced from PubChem (CID 162181208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).