10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile

C127H91FIr8N11-9 — CID 157401910

IUPAC10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile
SMILESCC1(C)c2ccc[c-]c2-c2ncccc21.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)cc1.N#Cc1c[c-]c(-c2ccccn2)cc1.[C-]#[N+]c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/2C18H14N.C17H12N.C14H12N.C13H8N.2C12H7N2.C12H10N.C11H7FN.8Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-14(2)11-7-4-3-6-10(11)13-12(14)8-5-9-15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-13-11-6-4-5-10(9-11)12-7-2-3-8-14-12;13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;/h2-10,12-13H,1H3;2-8,10-13H,1H3;1-11,13H;3-5,7-9H,1-2H3;1-5,7-9H;2-4,6-9H;1-6,8H;2-7,9H,1H3;1-4,6-8H;;;;;;;;/q9*-1;;;;;;;;
InChIKeyRLMJVMIVOZTPCL-UHFFFAOYSA-N
MW3327.94 g/mol
LogP30.69
Rot. Bonds10

About 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile

10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile (PubChem CID 157401910) has the molecular formula C127H91FIr8N11-9 and a molecular weight of 3327.94 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile
PubChem CID157401910
Molecular FormulaC127H91FIr8N11-9
Molecular Weight3327.94 g/mol
Exact Mass3332.45
IUPAC Name10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile
SMILESCC1(C)c2ccc[c-]c2-c2ncccc21.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)cc1.N#Cc1c[c-]c(-c2ccccn2)cc1.[C-]#[N+]c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/2C18H14N.C17H12N.C14H12N.C13H8N.2C12H7N2.C12H10N.C11H7FN.8Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-14(2)11-7-4-3-6-10(11)13-12(14)8-5-9-15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-13-11-6-4-5-10(9-11)12-7-2-3-8-14-12;13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;/h2-10,12-13H,1H3;2-8,10-13H,1H3;1-11,13H;3-5,7-9H,1-2H3;1-5,7-9H;2-4,6-9H;1-6,8H;2-7,9H,1H3;1-4,6-8H;;;;;;;;/q9*-1;;;;;;;;
InChIKeyRLMJVMIVOZTPCL-UHFFFAOYSA-N
XLogP30.69
TPSA144.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003327.94
LogP ≤ 530.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile with MolForge

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Related Compounds

iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601
pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
CID 162204735
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052
tetrakis(iridium);4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)-4-(trideuteriomethyl)pyridine;tris(2-phenylpyridine)
CID 158811687
4-ethyl-5-phenyl-2-phenylpyridine;tris(iridium);4-methyl-5-naphthalen-2-yl-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-methyl-6-phenylpyridine);2-phenylpyridine
CID 160700604
pentakis(iridium);2-methyl-6-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;2-methyl-6-phenylpyridine;bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);5-phenyl-2-phenylpyridine;tetrakis(2-phenylpyridine)
CID 158247432
pentakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)-6-methylpyridine;tetrakis(2-[3-(4-isocyanophenyl)benzene-6-id-1-yl]-6-methylpyridine);2-methyl-6-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;4-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]benzonitrile;2-(3-phenylbenzene-6-id-1-yl)pyridine
CID 159806312
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
2-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;pentakis(iridium);2-[3-(3-methylphenyl)benzene-6-id-1-yl]pyridine;5-methyl-2-(3-phenylbenzene-6-id-1-yl)pyridine;3-methyl-2-pyridin-2-ylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 157363691
1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline;4-hydroxypent-3-en-2-one;bis(iridium);4-methyl-5-phenyl-2-phenylpyridine;2-phenylpyridine
CID 159047004
iridium;3-isocyano-5-(5-methyl-4-phenyl-2-pyridinyl)benzene-6-ide-1-carbonitrile;2-phenylpyridine
CID 168821560

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile (CID 157401910) is 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile is CC1(C)c2ccc[c-]c2-c2ncccc21.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cccc(-c2[c-]cccc2)n1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Fc1c[c-]c(-c2ccccn2)cc1.N#Cc1c[c-]c(-c2ccccn2)cc1.[C-]#[N+]c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(-c2ccccc2)ccc1-c1ccccn1.[c-]1cccc2ccc3cccnc3c12.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile?
The InChIKey is RLMJVMIVOZTPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N.C17H12N.C14H12N.C13H8N.2C12H7N2.C12H10N.C11H7FN.8Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-14(2)11-7-4-3-6-10(11)13-12(14)8-5-9-15-13;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-13-11-6-4-5-10(9-11)12-7-2-3-8-14-12;13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;;;;;;;;/h2-10,12-13H,1H3;2-8,10-13H,1H3;1-11,13H;3-5,7-9H,1-2H3;1-5,7-9H;2-4,6-9H;1-6,8H;2-7,9H,1H3;1-4,6-8H;;;;;;;;/q9*-1;;;;;;;;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile?
10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile has a molecular weight of 3327.94 g/mol, XLogP of 30.69, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;5,5-dimethyl-9H-indeno[1,2-b]pyridin-9-ide;2-(4-fluorobenzene-6-id-1-yl)pyridine;octakis(iridium);2-(3-isocyanobenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;4-pyridin-2-ylbenzene-5-ide-1-carbonitrile is sourced from PubChem (CID 157401910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).