1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C95H90F6N7O6P4Pt5S2-5 — CID 158336514

IUPAC1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCOc1c[c-]c(-c2ccccn2)cc1.CPCCPC.C[N-]c1ccccc1[N-]C.C[PH](=O)CC[PH](C)=O.FC(F)(F)c1cc[c-]c(-c2cc(C(F)(F)F)ccn2)c1.O=C(O)c1ccccc1O.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[S-]C(=C([S-])c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H12S2.C13H6F6N.C12H10NO.3C11H8N.C8H10N2.C7H6O3.C4H12O2P2.C4H12P2.5Pt/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-12(15,16)9-3-1-2-8(6-9)11-7-10(4-5-20-11)13(17,18)19;1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-9-7-5-3-4-6-8(7)10-2;8-6-4-2-1-3-5(6)7(9)10;1-7(5)3-4-8(2)6;1-5-3-4-6-2;;;;;/h1-10,15-16H;1,3-7H;2-5,7-9H,1H3;3*1-6,8-9H;3-6H,1-2H3;1-4,8H,(H,9,10);7-8H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;;;;;/q;5*-1;-2;;;;;;;2*+2/p-2
InChIKeyUZBNZINXXKVVPN-UHFFFAOYSA-L
MW2703.22 g/mol
LogP25.40
Rot. Bonds17

About 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine

1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 158336514) has the molecular formula C95H90F6N7O6P4Pt5S2-5 and a molecular weight of 2703.22 g/mol. Its IUPAC name is 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID158336514
Molecular FormulaC95H90F6N7O6P4Pt5S2-5
Molecular Weight2703.22 g/mol
Exact Mass2701.35
IUPAC Name1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCOc1c[c-]c(-c2ccccn2)cc1.CPCCPC.C[N-]c1ccccc1[N-]C.C[PH](=O)CC[PH](C)=O.FC(F)(F)c1cc[c-]c(-c2cc(C(F)(F)F)ccn2)c1.O=C(O)c1ccccc1O.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[S-]C(=C([S-])c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C14H12S2.C13H6F6N.C12H10NO.3C11H8N.C8H10N2.C7H6O3.C4H12O2P2.C4H12P2.5Pt/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-12(15,16)9-3-1-2-8(6-9)11-7-10(4-5-20-11)13(17,18)19;1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-9-7-5-3-4-6-8(7)10-2;8-6-4-2-1-3-5(6)7(9)10;1-7(5)3-4-8(2)6;1-5-3-4-6-2;;;;;/h1-10,15-16H;1,3-7H;2-5,7-9H,1H3;3*1-6,8-9H;3-6H,1-2H3;1-4,8H,(H,9,10);7-8H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;;;;;/q;5*-1;-2;;;;;;;2*+2/p-2
InChIKeyUZBNZINXXKVVPN-UHFFFAOYSA-L
XLogP25.40
TPSA193.55 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002703.22
LogP ≤ 525.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine with MolForge

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Related Compounds

2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)pyridine;1,2-diphenylethene-1,2-dithiolate;bis(2-hydroxybenzoic acid);bis(methyl-(2-methylazanidylphenyl)azanide);1-(2H-naphthalen-2-id-1-yl)isoquinoline;3-phenylisoquinoline;2-phenyl-3-phenylquinoxaline;2-phenylquinoline;platinum;tris(platinum(2+))
CID 158752126

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 158336514) is 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine is COc1c[c-]c(-c2ccccn2)cc1.CPCCPC.C[N-]c1ccccc1[N-]C.C[PH](=O)CC[PH](C)=O.FC(F)(F)c1cc[c-]c(-c2cc(C(F)(F)F)ccn2)c1.O=C(O)c1ccccc1O.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[S-]C(=C([S-])c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is UZBNZINXXKVVPN-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12S2.C13H6F6N.C12H10NO.3C11H8N.C8H10N2.C7H6O3.C4H12O2P2.C4H12P2.5Pt/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;14-12(15,16)9-3-1-2-8(6-9)11-7-10(4-5-20-11)13(17,18)19;1-14-11-7-5-10(6-8-11)12-4-2-3-9-13-12;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-9-7-5-3-4-6-8(7)10-2;8-6-4-2-1-3-5(6)7(9)10;1-7(5)3-4-8(2)6;1-5-3-4-6-2;;;;;/h1-10,15-16H;1,3-7H;2-5,7-9H,1H3;3*1-6,8-9H;3-6H,1-2H3;1-4,8H,(H,9,10);7-8H,3-4H2,1-2H3;5-6H,3-4H2,1-2H3;;;;;/q;5*-1;-2;;;;;;;2*+2/p-2.
What are the key properties of 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2703.22 g/mol, XLogP of 25.40, 17 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(methylphosphonoyl)ethane;1,2-diphenylethene-1,2-dithiolate;2-hydroxybenzoic acid;2-(4-methoxybenzene-6-id-1-yl)pyridine;methyl-(2-methylazanidylphenyl)azanide;methyl(2-methylphosphanylethyl)phosphane;tris(2-phenylpyridine);platinum;bis(platinum(2+));4-(trifluoromethyl)-2-[3-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158336514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).