benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum

C144H131Cu3Ir2N15O4OsP3Pt-12 — CID 158007367

IUPACbenzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum
SMILESCC(=O)/C=C(/C)O.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir].[Ir].[Os].[Pt].[c-]1ccccc1-c1ccccn1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C30H24OP2.C22H19N4.C17H20NP.C16H12N2O.C14H12N.C13H11N4.C11H8N.C10H10N2.C6H6.C5H8O2.3Cu.2Ir.Os.Pt/c1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26;1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-2-4-6-5-3-1;1-4(6)3-5(2)7;;;;;;;/h1-23,32H;3-13,15-16H,1-2H3;4-11,13,19H,3,12H2,1-2H3;2-6,8-11H,1H3;3-10H,1-2H2;1-9H,(H2-,14,15,17);1-6,8-9H;2-5,7-9H,1H3;1-6H;3,6H,1-2H3;;;;;;;/q;-3;2*-2;-3;2*-1;-2;;;;;+1;;;;/p+1/b;;;;;;;;;4-3-;;;;;;;
InChIKeyRLOXIZYZFNZQEP-OYXROYEGSA-O
MW3189.03 g/mol
LogP33.77
Rot. Bonds22

About benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum

benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum (PubChem CID 158007367) has the molecular formula C144H131Cu3Ir2N15O4OsP3Pt-12 and a molecular weight of 3189.03 g/mol. Its IUPAC name is benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum.

Molecular Properties

Compound Namebenzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum
PubChem CID158007367
Molecular FormulaC144H131Cu3Ir2N15O4OsP3Pt-12
Molecular Weight3189.03 g/mol
Exact Mass3188.62
IUPAC Namebenzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum
SMILESCC(=O)/C=C(/C)O.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir].[Ir].[Os].[Pt].[c-]1ccccc1-c1ccccn1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1
InChIInChI=1S/C30H24OP2.C22H19N4.C17H20NP.C16H12N2O.C14H12N.C13H11N4.C11H8N.C10H10N2.C6H6.C5H8O2.3Cu.2Ir.Os.Pt/c1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26;1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-2-4-6-5-3-1;1-4(6)3-5(2)7;;;;;;;/h1-23,32H;3-13,15-16H,1-2H3;4-11,13,19H,3,12H2,1-2H3;2-6,8-11H,1H3;3-10H,1-2H2;1-9H,(H2-,14,15,17);1-6,8-9H;2-5,7-9H,1H3;1-6H;3,6H,1-2H3;;;;;;;/q;-3;2*-2;-3;2*-1;-2;;;;;+1;;;;/p+1/b;;;;;;;;;4-3-;;;;;;;
InChIKeyRLOXIZYZFNZQEP-OYXROYEGSA-O
XLogP33.77
TPSA199.58 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds22
Heavy Atoms173
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003189.03
LogP ≤ 533.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum?
The IUPAC name of benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum (CID 158007367) is benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum.
What is the SMILES notation for benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum?
The canonical SMILES for benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum is CC(=O)/C=C(/C)O.CN1C=CN(c2[c-]ccc3c2oc2ccccc23)[CH-]1.CN1C=CN(c2[c-]cccc2)[CH-]1.CN1[CH-]N(c2[c-]c(N3[CH-]N(C)c4ccccc43)ccc2)c2ccccc21.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu+].[Cu].[Cu].[H]/N=C(/N=C(/[NH-])c1ccccn1)c1ccccc1.[Ir].[Ir].[Os].[Pt].[c-]1ccccc1-c1ccccn1.c1ccc(Pc2ccccc2Oc2ccccc2[PH+](c2ccccc2)c2ccccc2)cc1.c1ccccc1.
What is the InChIKey of benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum?
The InChIKey is RLOXIZYZFNZQEP-OYXROYEGSA-O. The full InChI is InChI=1S/C30H24OP2.C22H19N4.C17H20NP.C16H12N2O.C14H12N.C13H11N4.C11H8N.C10H10N2.C6H6.C5H8O2.3Cu.2Ir.Os.Pt/c1-4-14-24(15-5-1)32-29-22-12-10-20-27(29)31-28-21-11-13-23-30(28)33(25-16-6-2-7-17-25)26-18-8-3-9-19-26;1-23-15-25(21-12-5-3-10-19(21)23)17-8-7-9-18(14-17)26-16-24(2)20-11-4-6-13-22(20)26;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;1-17-9-10-18(11-17)14-7-4-6-13-12-5-2-3-8-15(12)19-16(13)14;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;14-12(10-6-2-1-3-7-10)17-13(15)11-8-4-5-9-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-11-7-8-12(9-11)10-5-3-2-4-6-10;1-2-4-6-5-3-1;1-4(6)3-5(2)7;;;;;;;/h1-23,32H;3-13,15-16H,1-2H3;4-11,13,19H,3,12H2,1-2H3;2-6,8-11H,1H3;3-10H,1-2H2;1-9H,(H2-,14,15,17);1-6,8-9H;2-5,7-9H,1H3;1-6H;3,6H,1-2H3;;;;;;;/q;-3;2*-2;-3;2*-1;-2;;;;;+1;;;;/p+1/b;;;;;;;;;4-3-;;;;;;;.
What are the key properties of benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum?
benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum has a molecular weight of 3189.03 g/mol, XLogP of 33.77, 22 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide;bis(2-methanidylphenyl)azanide;copper;copper(1+);1-(3H-dibenzofuran-3-id-4-yl)-3-methyl-2H-imidazol-2-ide;diphenyl-[2-(2-phenylphosphanylphenoxy)phenyl]phosphanium;(Z)-4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;1-methyl-3-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2H-benzimidazol-2-ide;1-methyl-3-phenyl-2H-imidazol-2-ide;osmium;2-phenylpyridine;platinum is sourced from PubChem (CID 158007367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).