bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane

C35H52BBrCl2F4N6O6P12 — CID 159597896

About bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane (PubChem CID 159597896) has the molecular formula C35H52BBrCl2F4N6O6P12 and a molecular weight of 1262.14 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane.

Molecular Properties

• Compound Name: bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane
• PubChem CID: 159597896
• Molecular Formula: C35H52BBrCl2F4N6O6P12
• Molecular Weight: 1262.14 g/mol
• Exact Mass: 1259.94
• IUPAC Name: bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane
• SMILES: C.Cc1cc(Cl)ccc1-c1c(C(=O)NC2CC2)nn2c1OCC(F)(F)C2.Cc1cc(Cl)ccc1B(O)O.O=C(NC1CC1)c1nn2c(c1Br)OCC(F)(F)C2.PP(P)P(P)P(P(P)P)P(P)P
• InChI: InChI=1S/C17H16ClF2N3O2.C10H10BrF2N3O2.C7H8BClO2.CH4.H14P12/c1-9-6-10(18)2-5-12(9)13-14(15(24)21-11-3-4-11)22-23-7-17(19,20)8-25-16(13)23;11-6-7(8(17)14-5-1-2-5)15-16-3-10(12,13)4-18-9(6)16;1-5-4-6(9)2-3-7(5)8(10)11;;1-8(2)11(7)12(9(3)4)10(5)6/h2,5-6,11H,3-4,7-8H2,1H3,(H,21,24);5H,1-4H2,(H,14,17);2-4,10-11H,1H3;1H4;1-7H2
• InChIKey: MLBZCXYQRFQWMJ-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 152.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1262.14
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane?

The IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane (CID 159597896) is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane.

What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane?

The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane is C.Cc1cc(Cl)ccc1-c1c(C(=O)NC2CC2)nn2c1OCC(F)(F)C2.Cc1cc(Cl)ccc1B(O)O.O=C(NC1CC1)c1nn2c(c1Br)OCC(F)(F)C2.PP(P)P(P)P(P(P)P)P(P)P.

What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane?

The InChIKey is MLBZCXYQRFQWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2N3O2.C10H10BrF2N3O2.C7H8BClO2.CH4.H14P12/c1-9-6-10(18)2-5-12(9)13-14(15(24)21-11-3-4-11)22-23-7-17(19,20)8-25-16(13)23;11-6-7(8(17)14-5-1-2-5)15-16-3-10(12,13)4-18-9(6)16;1-5-4-6(9)2-3-7(5)8(10)11;;1-8(2)11(7)12(9(3)4)10(5)6/h2,5-6,11H,3-4,7-8H2,1H3,(H,21,24);5H,1-4H2,(H,14,17);2-4,10-11H,1H3;1H4;1-7H2.

What are the key properties of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane?

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane has a molecular weight of 1262.14 g/mol, XLogP of 12.55, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;3-bromo-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(4-chloro-2-methylphenyl)boronic acid;3-(4-chloro-2-methylphenyl)-N-cyclopropyl-6,6-difluoro-5,7-dihydropyrazolo[5,1-b][1,3]oxazine-2-carboxamide;methane is sourced from PubChem (CID 159597896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).