10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane

C103H89BClF10Ir3N13O8Pt3-5 — CID 158381023

IUPAC10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)cc1.Cl[Ir+2].FC(F)(F)Oc1c[c-]c(-c2ccccn2)c(OC(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[CH2-]C1CCCCC1.[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.c1cnn(B(n2cccn2)n2cccn2)c1
InChIInChI=1S/C13H6F6NO2.C13H8N.C12H5F2N2.C12H10N.C11H6F2N.C11H8N.C9H9BN6.C7H13.3C5H8O2.ClH.3Ir.3Pt/c14-12(15,16)21-8-4-5-9(10-3-1-2-6-20-10)11(7-8)22-13(17,18)19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-7-5-3-2-4-6-7;3*1-4(6)3-5(2)7;;;;;;;/h1-4,6-7H;1-5,7-9H;2-4,6-7H;2-7,9H,1H3;1-4,6-7H;1-6,8-9H;1-9H;7H,1-6H2;3*3,6H,1-2H3;1H;;;;;;/q6*-1;;-1;;;;;;;+3;;;/p-1
InChIKeyHDGKREKKJSXSJG-UHFFFAOYSA-M
MW3035.06 g/mol
LogP25.54
Rot. Bonds13

About 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane

10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane (PubChem CID 158381023) has the molecular formula C103H89BClF10Ir3N13O8Pt3-5 and a molecular weight of 3035.06 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane
PubChem CID158381023
Molecular FormulaC103H89BClF10Ir3N13O8Pt3-5
Molecular Weight3035.06 g/mol
Exact Mass3035.44
IUPAC Name10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)cc1.Cl[Ir+2].FC(F)(F)Oc1c[c-]c(-c2ccccn2)c(OC(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[CH2-]C1CCCCC1.[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.c1cnn(B(n2cccn2)n2cccn2)c1
InChIInChI=1S/C13H6F6NO2.C13H8N.C12H5F2N2.C12H10N.C11H6F2N.C11H8N.C9H9BN6.C7H13.3C5H8O2.ClH.3Ir.3Pt/c14-12(15,16)21-8-4-5-9(10-3-1-2-6-20-10)11(7-8)22-13(17,18)19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-7-5-3-2-4-6-7;3*1-4(6)3-5(2)7;;;;;;;/h1-4,6-7H;1-5,7-9H;2-4,6-7H;2-7,9H,1H3;1-4,6-7H;1-6,8-9H;1-9H;7H,1-6H2;3*3,6H,1-2H3;1H;;;;;;/q6*-1;;-1;;;;;;;+3;;;/p-1
InChIKeyHDGKREKKJSXSJG-UHFFFAOYSA-M
XLogP25.54
TPSA265.52 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003035.06
LogP ≤ 525.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane 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

3-chloro-6-phenylpyridazine;bis(4-hydroxypent-3-en-2-one);hexakis(iridium);4-isocyano-2-(2H-naphthalen-2-id-1-yl)pyridine;bis(3-methyl-2-phenylpyridine);1-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenyl-5-(trifluoromethyl)pyridine
CID 157552389
hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-methyl-3-(4-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(5-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;2-methyl-3-(6-methyl-2-pyridinyl)-6-(trifluoromethyl)-4H-pyridin-4-ide;6-methyl-4-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide;6-methyl-4-(6-methyl-2-pyridinyl)-2-(trifluoromethyl)-3H-pyridin-3-ide
CID 157946496
2-[3,5-Bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;1-(2,4-difluorobenzene-6-id-1-yl)pyrazole;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;bis(iridium);1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)
CID 157952723
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylpyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);7,9-difluoro-5H-pyrazolo[1,2-a]indazol-4-ium;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;1-phenylpyrazole;platinum;bis(platinum(2+));bis(pyrazol-1-ide)
CID 158523404
3-chloro-6-phenylpyridazine;bis(4-hydroxypent-3-en-2-one);pentakis(iridium);4-isocyano-2-(2H-naphthalen-2-id-1-yl)pyridine;bis(3-methyl-2-phenylpyridine);2-phenyl-5-(trifluoromethyl)pyridine
CID 158773716
2-[2,4-Bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;2-[2-fluoro-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;tetrakis(iridium);methanidylcyclohexane;triethoxyphosphanium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;triphenylphosphanium;tri(pyrazol-1-yl)borane;cyanide;isothiocyanate
CID 158913861
2-[2,4-Bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tetrakis(iridium);methanidylcyclohexane;2-[2-methyl-4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;triethoxyphosphanium;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine;triphenylphosphanium;tri(pyrazol-1-yl)borane;cyanide;isothiocyanate
CID 158927426
Benzoic acid;1-(3-tert-butylbenzene-6-id-1-yl)isoquinoline;2-(3-tert-butylbenzene-6-id-1-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-(4-methoxy-2-methylbenzene-6-id-1-yl)pyridine);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 159007096
2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;pentakis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 159231358
bis(3-chloro-6-phenylpyridazine);tris(4-hydroxypent-3-en-2-one);pentakis(iridium);4-isocyano-2-(2H-naphthalen-2-id-1-yl)pyridine;2-phenyl-3-(trifluoromethyl)pyridine;2-phenyl-5-(trifluoromethyl)pyridine
CID 159264711
4-hydroxypent-3-en-2-one;iridium;iridium(3+);pentakis(4-methyl-2-(2,2,4,4-tetrafluoro-7H-1,3-benzodioxin-7-id-6-yl)pyridine)
CID 159394031
3-[6-[2-[1-(3-tert-butylbenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-2,6-dimethoxy-4H-pyridin-4-ide;2,6-difluoro-3-[6-[2-[4-(trifluoromethyl)-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-dimethoxy-3-[6-[2-[1-(4-methoxybenzene-6-id-1-yl)pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2,6-dimethoxy-3-[6-[2-(1-phenylpyrazol-3-yl)butan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;hexakis(platinum(2+));2-(trifluoromethyl)-5-[6-[2-[1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide;2-(trifluoromethyl)-3-[6-[2-[4-(trifluoromethyl)-1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]propan-2-yl]-2-pyridinyl]-4H-pyridin-4-ide
CID 159498153

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane (CID 158381023) is 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1c[c-]c(-c2ccccn2)cc1.Cl[Ir+2].FC(F)(F)Oc1c[c-]c(-c2ccccn2)c(OC(F)(F)F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.[C-]#[N+]c1c(F)c[c-]c(-c2ccccn2)c1F.[CH2-]C1CCCCC1.[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.c1cnn(B(n2cccn2)n2cccn2)c1.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane?
The InChIKey is HDGKREKKJSXSJG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H6F6NO2.C13H8N.C12H5F2N2.C12H10N.C11H6F2N.C11H8N.C9H9BN6.C7H13.3C5H8O2.ClH.3Ir.3Pt/c14-12(15,16)21-8-4-5-9(10-3-1-2-6-20-10)11(7-8)22-13(17,18)19;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;1-15-12-9(13)6-5-8(11(12)14)10-4-2-3-7-16-10;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4-11-14(7-1)10(15-8-2-5-12-15)16-9-3-6-13-16;1-7-5-3-2-4-6-7;3*1-4(6)3-5(2)7;;;;;;;/h1-4,6-7H;1-5,7-9H;2-4,6-7H;2-7,9H,1H3;1-4,6-7H;1-6,8-9H;1-9H;7H,1-6H2;3*3,6H,1-2H3;1H;;;;;;/q6*-1;;-1;;;;;;;+3;;;/p-1.
What are the key properties of 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane?
10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane has a molecular weight of 3035.06 g/mol, XLogP of 25.54, 13 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;2-[2,4-bis(trifluoromethoxy)benzene-6-id-1-yl]pyridine;chloroiridium(2+);2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;tris(4-hydroxypent-3-en-2-one);bis(iridium);methanidylcyclohexane;2-(4-methylbenzene-6-id-1-yl)pyridine;2-phenylpyridine;platinum;tri(pyrazol-1-yl)borane is sourced from PubChem (CID 158381023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).