10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine

C76H116Ir4N6S-8 — CID 161075607

IUPAC10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc2c(c1)CNN2
InChIInChI=1S/C13H8N.C12H10N.C11H8N.C9H6NS.C7H8N2.8C2H6.4CH4.4CH3.4Ir/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-7-6(3-1)5-8-9-7;8*1-2;;;;;;;;;;;;/h1-5,7-9H;1-6,8-9H,10H2;1-6,8-9H;1-4,6-7H;1-4,8-9H,5H2;8*1-2H3;4*1H4;4*1H3;;;;/q4*-1;;;;;;;;;;;;;;4*-1;;;;
InChIKeyNHSWWMBOOZOBJP-UHFFFAOYSA-N
MW1914.74 g/mol
LogP24.48
Rot. Bonds4

About 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine

10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 161075607) has the molecular formula C76H116Ir4N6S-8 and a molecular weight of 1914.74 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
PubChem CID161075607
Molecular FormulaC76H116Ir4N6S-8
Molecular Weight1914.74 g/mol
Exact Mass1916.75
IUPAC Name10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
SMILESC.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc2c(c1)CNN2
InChIInChI=1S/C13H8N.C12H10N.C11H8N.C9H6NS.C7H8N2.8C2H6.4CH4.4CH3.4Ir/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-7-6(3-1)5-8-9-7;8*1-2;;;;;;;;;;;;/h1-5,7-9H;1-6,8-9H,10H2;1-6,8-9H;1-4,6-7H;1-4,8-9H,5H2;8*1-2H3;4*1H4;4*1H3;;;;/q4*-1;;;;;;;;;;;;;;4*-1;;;;
InChIKeyNHSWWMBOOZOBJP-UHFFFAOYSA-N
XLogP24.48
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001914.74
LogP ≤ 524.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine with MolForge

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Related Compounds

10H-benzo[h]quinolin-10-ide;ethane;tris(iridium);2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
CID 158596255
bis(10H-benzo[h]quinolin-10-ide);tetrakis(iridium(3+));bis(2-(4-methylbenzene-6-id-1-yl)pyridine);octakis(2-phenylpyridine)
CID 157371936
10H-benzo[h]quinolin-10-ide;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);tris(2-phenylpyridine);bis(pyridine-2-carboxylic acid);hexakis(rhodium);2-(3H-thiophen-3-id-2-yl)pyridine
CID 159564125
carbanide;iridium;2-(3H-thiophen-3-id-2-yl)pyridine
CID 23526386
bis(10H-benzo[h]quinolin-10-ide);deca-1,3,5,7,9-pentayne;pentakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenyl-3H-1-benzothiophen-3-ide;2-phenylpyridine;2-phenyl-3H-thiophen-3-ide
CID 160854380
bis(10H-benzo[h]quinolin-10-ide);bis(pentane-2,4-diol);bis(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)
CID 159338664
phenylbenzene;bis(2-phenylpyridine);tetrakis(platinum(2+));2-pyridin-2-ylpyridine;bis(2-(3H-thiophen-3-id-2-yl)pyridine);bis(trimethyl-(2-pyridin-2-yl-3H-thiophen-3-id-5-yl)silane)
CID 161121775
iridium(3+);tris(2-(phenylmethyl)pyridine)
CID 58843926
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052
beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
iridium;tris(2-phenylpyridine)
CID 23386734
10H-benzo[h]quinolin-10-ide;2-pyridin-2-ylphenol;quinolin-8-ol;rhenium
CID 135973441

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine (CID 161075607) is 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine is C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.[CH3-].[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].[Ir].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1Cc1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc2c(c1)CNN2.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?
The InChIKey is NHSWWMBOOZOBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N.C12H10N.C11H8N.C9H6NS.C7H8N2.8C2H6.4CH4.4CH3.4Ir/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;1-2-4-7-6(3-1)5-8-9-7;8*1-2;;;;;;;;;;;;/h1-5,7-9H;1-6,8-9H,10H2;1-6,8-9H;1-4,6-7H;1-4,8-9H,5H2;8*1-2H3;4*1H4;4*1H3;;;;/q4*-1;;;;;;;;;;;;;;4*-1;;;;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?
10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 1914.74 g/mol, XLogP of 24.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;carbanide;2,3-dihydro-1H-indazole;ethane;tetrakis(iridium);methane;2-(phenylmethyl)pyridine;2-phenylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 161075607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).