bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane

C50H80N10O2P38 — CID 158430213

IUPACbis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane
SMILESC.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.[C-]#[N+]c1ccc2nc(-c3c(O)c(-c4ccc(-c5ccccc5)cc4)nn3C)[nH]c2c1.[C-]#[N+]c1ccc2nc(-c3c(OC)c(-c4ccc(-c5ccccc5)cc4)nn3C)[nH]c2c1
InChIInChI=1S/C25H19N5O.C24H17N5O.CH4.H40P38/c1-26-19-13-14-20-21(15-19)28-25(27-20)23-24(31-3)22(29-30(23)2)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-25-18-12-13-19-20(14-18)27-24(26-19)22-23(30)21(28-29(22)2)17-10-8-16(9-11-17)15-6-4-3-5-7-15;;1-21(2)31(22(3)4)36(32(23(5)6)24(7)8)38(35(29(17)18)30(19)20)37(33(25(9)10)26(11)12)34(27(13)14)28(15)16/h4-15H,2-3H3,(H,27,28);3-14,30H,2H3,(H,26,27);1H4;1-20H2
InChIKeyHBOHWBCKWKJRNS-UHFFFAOYSA-N
MW2030.27 g/mol
LogP34.06
Rot. Bonds24

About bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane

bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane (PubChem CID 158430213) has the molecular formula C50H80N10O2P38 and a molecular weight of 2030.27 g/mol. Its IUPAC name is bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane.

Molecular Properties

Compound Namebis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane
PubChem CID158430213
Molecular FormulaC50H80N10O2P38
Molecular Weight2030.27 g/mol
Exact Mass2029.65
IUPAC Namebis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane
SMILESC.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.[C-]#[N+]c1ccc2nc(-c3c(O)c(-c4ccc(-c5ccccc5)cc4)nn3C)[nH]c2c1.[C-]#[N+]c1ccc2nc(-c3c(OC)c(-c4ccc(-c5ccccc5)cc4)nn3C)[nH]c2c1
InChIInChI=1S/C25H19N5O.C24H17N5O.CH4.H40P38/c1-26-19-13-14-20-21(15-19)28-25(27-20)23-24(31-3)22(29-30(23)2)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-25-18-12-13-19-20(14-18)27-24(26-19)22-23(30)21(28-29(22)2)17-10-8-16(9-11-17)15-6-4-3-5-7-15;;1-21(2)31(22(3)4)36(32(23(5)6)24(7)8)38(35(29(17)18)30(19)20)37(33(25(9)10)26(11)12)34(27(13)14)28(15)16/h4-15H,2-3H3,(H,27,28);3-14,30H,2H3,(H,26,27);1H4;1-20H2
InChIKeyHBOHWBCKWKJRNS-UHFFFAOYSA-N
XLogP34.06
TPSA131.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002030.27
LogP ≤ 534.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane with MolForge

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Related Compounds

5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol
CID 135988793
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide;methane;2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 158194954
5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1-methylpyrazol-4-ol;3-(4-chlorophenyl)-5-(6-isocyano-1H-benzimidazol-2-yl)-1-methylpyrazol-4-ol;methane
CID 158133695
6-ethoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
CID 135988746
[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate
CID 135988871
5-(6-isocyano-1H-benzimidazol-2-yl)-3-(4-methylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-ol
CID 135988718
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 135988800
methyl N-[[4-[5-(6-carbamoyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylpyrazol-3-yl]phenyl]methyl]carbamate
CID 135988697
3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 135988788
2-[5-(4-cyclopropylphenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 135857348
2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 135988661
1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 135988674

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane?
The IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane (CID 158430213) is bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane.
What is the SMILES notation for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane?
The canonical SMILES for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane is C.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.[C-]#[N+]c1ccc2nc(-c3c(O)c(-c4ccc(-c5ccccc5)cc4)nn3C)[nH]c2c1.[C-]#[N+]c1ccc2nc(-c3c(OC)c(-c4ccc(-c5ccccc5)cc4)nn3C)[nH]c2c1.
What is the InChIKey of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane?
The InChIKey is HBOHWBCKWKJRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O.C24H17N5O.CH4.H40P38/c1-26-19-13-14-20-21(15-19)28-25(27-20)23-24(31-3)22(29-30(23)2)18-11-9-17(10-12-18)16-7-5-4-6-8-16;1-25-18-12-13-19-20(14-18)27-24(26-19)22-23(30)21(28-29(22)2)17-10-8-16(9-11-17)15-6-4-3-5-7-15;;1-21(2)31(22(3)4)36(32(23(5)6)24(7)8)38(35(29(17)18)30(19)20)37(33(25(9)10)26(11)12)34(27(13)14)28(15)16/h4-15H,2-3H3,(H,27,28);3-14,30H,2H3,(H,26,27);1H4;1-20H2.
What are the key properties of bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane?
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane has a molecular weight of 2030.27 g/mol, XLogP of 34.06, 24 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane is sourced from PubChem (CID 158430213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).