bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid

C31H103BrN4O5P70 — CID 123364598

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid (PubChem CID 123364598) has the molecular formula C31H103BrN4O5P70 and a molecular weight of 2860.27 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid
• PubChem CID: 123364598
• Molecular Formula: C31H103BrN4O5P70
• Molecular Weight: 2860.27 g/mol
• Exact Mass: 2858.87
• IUPAC Name: bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid
• SMILES: COc1c(-c2ccc(-c3ccccc3)cc2)nn(C)c1C(=O)O.COc1c(-c2ccc(Br)cc2)nn(C)c1C(C)=O.PPP(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.PPP(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
• InChI: InChI=1S/C18H16N2O3.C13H13BrN2O2.H39P37.H35P33/c1-20-16(18(21)22)17(23-2)15(19-20)14-10-8-13(9-11-14)12-6-4-3-5-7-12;1-8(17)12-13(18-3)11(15-16(12)2)9-4-6-10(14)7-5-9;1-20-30(21(2)3)35(31(22(4)5)23(6)7)37(34(28(16)17)29(18)19)36(32(24(8)9)25(10)11)33(26(12)13)27(14)15;1-18-27(19(2)3)31(26(16)17)33(30(24(12)13)25(14)15)32(28(20(4)5)21(6)7)29(22(8)9)23(10)11/h3-11H,1-2H3,(H,21,22);4-7H,1-3H3;20H,1-19H2;18H,1-17H2
• InChIKey: MVKFCCWPUDLCRV-UHFFFAOYSA-N
• XLogP: 47.00
• TPSA: 108.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 39
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2860.27
LogP ≤ 5	47.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid?

The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid (CID 123364598) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid.

What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid?

The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid is COc1c(-c2ccc(-c3ccccc3)cc2)nn(C)c1C(=O)O.COc1c(-c2ccc(Br)cc2)nn(C)c1C(C)=O.PPP(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.PPP(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(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid?

The InChIKey is MVKFCCWPUDLCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3.C13H13BrN2O2.H39P37.H35P33/c1-20-16(18(21)22)17(23-2)15(19-20)14-10-8-13(9-11-14)12-6-4-3-5-7-12;1-8(17)12-13(18-3)11(15-16(12)2)9-4-6-10(14)7-5-9;1-20-30(21(2)3)35(31(22(4)5)23(6)7)37(34(28(16)17)29(18)19)36(32(24(8)9)25(10)11)33(26(12)13)27(14)15;1-18-27(19(2)3)31(26(16)17)33(30(24(12)13)25(14)15)32(28(20(4)5)21(6)7)29(22(8)9)23(10)11/h3-11H,1-2H3,(H,21,22);4-7H,1-3H3;20H,1-19H2;18H,1-17H2.

What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid?

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 2860.27 g/mol, XLogP of 47.00, 39 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 123364598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).