bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane

C37H88N8O5P52 — CID 158349675

IUPACbis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane
SMILESC.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(CO)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(OC=O)cc2[nH]1.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C18H14N4O3.C18H16N4O2.CH4.H54P52/c1-22-16(17(24)15(21-22)11-5-3-2-4-6-11)18-19-13-8-7-12(25-10-23)9-14(13)20-18;1-22-16(17(24)15(21-22)12-5-3-2-4-6-12)18-19-13-8-7-11(10-23)9-14(13)20-18;;1-28(2)41(27)48(42(29(3)4)30(5)6)51(47(39(23)24)40(25)26)52(49(43(31(7)8)32(9)10)44(33(11)12)34(13)14)50(45(35(15)16)36(17)18)46(37(19)20)38(21)22/h2-10,24H,1H3,(H,19,20);2-9,23-24H,10H2,1H3,(H,19,20);1H4;1-27H2
InChIKeyGSDSUSYCLCXVGG-UHFFFAOYSA-N
MW2335.81 g/mol
LogP36.66
Rot. Bonds31

About bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane

bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane (PubChem CID 158349675) has the molecular formula C37H88N8O5P52 and a molecular weight of 2335.81 g/mol. Its IUPAC name is bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane.

Molecular Properties

Compound Namebis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane
PubChem CID158349675
Molecular FormulaC37H88N8O5P52
Molecular Weight2335.81 g/mol
Exact Mass2335.32
IUPAC Namebis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane
SMILESC.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(CO)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(OC=O)cc2[nH]1.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C18H14N4O3.C18H16N4O2.CH4.H54P52/c1-22-16(17(24)15(21-22)11-5-3-2-4-6-11)18-19-13-8-7-12(25-10-23)9-14(13)20-18;1-22-16(17(24)15(21-22)12-5-3-2-4-6-12)18-19-13-8-7-11(10-23)9-14(13)20-18;;1-28(2)41(27)48(42(29(3)4)30(5)6)51(47(39(23)24)40(25)26)52(49(43(31(7)8)32(9)10)44(33(11)12)34(13)14)50(45(35(15)16)36(17)18)46(37(19)20)38(21)22/h2-10,24H,1H3,(H,19,20);2-9,23-24H,10H2,1H3,(H,19,20);1H4;1-27H2
InChIKeyGSDSUSYCLCXVGG-UHFFFAOYSA-N
XLogP36.66
TPSA179.99 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds31
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002335.81
LogP ≤ 536.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane with MolForge

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Related Compounds

6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
CID 160747367
[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate
CID 135988871
[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] acetate
CID 143898677
2-[4-(6-hydroxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-ol;[2-[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]methanol
CID 157901627
methane;2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;1-[2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl]ethanone
CID 159225924
2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-6-methyl-1H-benzimidazole;1-methyl-5-(6-methyl-1H-benzimidazol-2-yl)-3-phenylpyrazol-4-ol
CID 159429170
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
CID 160694957

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane?
The IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane (CID 158349675) is bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane.
What is the SMILES notation for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane?
The canonical SMILES for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane is C.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(CO)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(OC=O)cc2[nH]1.PP(P)P(P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane?
The InChIKey is GSDSUSYCLCXVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3.C18H16N4O2.CH4.H54P52/c1-22-16(17(24)15(21-22)11-5-3-2-4-6-11)18-19-13-8-7-12(25-10-23)9-14(13)20-18;1-22-16(17(24)15(21-22)12-5-3-2-4-6-12)18-19-13-8-7-11(10-23)9-14(13)20-18;;1-28(2)41(27)48(42(29(3)4)30(5)6)51(47(39(23)24)40(25)26)52(49(43(31(7)8)32(9)10)44(33(11)12)34(13)14)50(45(35(15)16)36(17)18)46(37(19)20)38(21)22/h2-10,24H,1H3,(H,19,20);2-9,23-24H,10H2,1H3,(H,19,20);1H4;1-27H2.
What are the key properties of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane?
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane has a molecular weight of 2335.81 g/mol, XLogP of 36.66, 31 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane is sourced from PubChem (CID 158349675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).