bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane

C92H84AlBBr2Cl2F7N9O9P6 — CID 162208276

About bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane

bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane (PubChem CID 162208276) has the molecular formula C92H84AlBBr2Cl2F7N9O9P6 and a molecular weight of 2047.08 g/mol. Its IUPAC name is bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane.

Molecular Properties

• Compound Name: bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane
• PubChem CID: 162208276
• Molecular Formula: C92H84AlBBr2Cl2F7N9O9P6
• Molecular Weight: 2047.08 g/mol
• Exact Mass: 2043.24
• IUPAC Name: bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane
• SMILES: C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OB(c2cc(F)c(Cl)cc2F)OC1(C)C.CCOC(=O)c1nn2c(c1Br)OC[C@@H](F)C2.C[Al](C)C.NC1CC1.O=C(NC1CC1)c1nn2c(c1-c1cc(F)c(Cl)cc1F)OC[C@@H](F)C2.O=C(NC1CC1)c1nn2c(c1Br)OC[C@@H](F)C2.PP(P)P(P)P
• InChI: InChI=1S/C22H2.C16H13ClF3N3O2.C16H6.C12H14BClF2O2.C10H11BrFN3O2.C9H10BrFN2O3.C3H7N.CH4.3CH3.Al.H8P6/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;17-10-4-11(19)9(3-12(10)20)13-14(15(24)21-8-1-2-8)22-23-5-7(18)6-25-16(13)23;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-11(2)12(3,4)18-13(17-11)7-5-10(16)8(14)6-9(7)15;11-7-8(9(16)13-6-1-2-6)14-15-3-5(12)4-17-10(7)15;1-2-15-9(14)7-6(10)8-13(12-7)3-5(11)4-16-8;4-3-1-2-3;;;;;;1-5(2)6(3)4/h1-2H;3-4,7-8H,1-2,5-6H2,(H,21,24);1-2H3;5-6H,1-4H3;5-6H,1-4H2,(H,13,16);5H,2-4H2,1H3;3H,1-2,4H2;1H4;3*1H3;;1-4H2/t;7-;;;2*5-;;;;;;;/m.0..00......./s1
• InChIKey: USZVFYAMMQCGNW-KNGYLDSASA-N
• XLogP: 15.32
• TPSA: 210.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 9
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2047.08
LogP ≤ 5	15.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane?

The IUPAC name of bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane (CID 162208276) is bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane.

What is the SMILES notation for bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane?

The canonical SMILES for bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane is C.C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.CC#CC#CC#CC#CC#CC#CC#CC.CC1(C)OB(c2cc(F)c(Cl)cc2F)OC1(C)C.CCOC(=O)c1nn2c(c1Br)OC[C@@H](F)C2.C[Al](C)C.NC1CC1.O=C(NC1CC1)c1nn2c(c1-c1cc(F)c(Cl)cc1F)OC[C@@H](F)C2.O=C(NC1CC1)c1nn2c(c1Br)OC[C@@H](F)C2.PP(P)P(P)P.

What is the InChIKey of bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane?

The InChIKey is USZVFYAMMQCGNW-KNGYLDSASA-N. The full InChI is InChI=1S/C22H2.C16H13ClF3N3O2.C16H6.C12H14BClF2O2.C10H11BrFN3O2.C9H10BrFN2O3.C3H7N.CH4.3CH3.Al.H8P6/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2;17-10-4-11(19)9(3-12(10)20)13-14(15(24)21-8-1-2-8)22-23-5-7(18)6-25-16(13)23;1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-11(2)12(3,4)18-13(17-11)7-5-10(16)8(14)6-9(7)15;11-7-8(9(16)13-6-1-2-6)14-15-3-5(12)4-17-10(7)15;1-2-15-9(14)7-6(10)8-13(12-7)3-5(11)4-16-8;4-3-1-2-3;;;;;;1-5(2)6(3)4/h1-2H;3-4,7-8H,1-2,5-6H2,(H,21,24);1-2H3;5-6H,1-4H3;5-6H,1-4H2,(H,13,16);5H,2-4H2,1H3;3H,1-2,4H2;1H4;3*1H3;;1-4H2/t;7-;;;2*5-;;;;;;;/m.0..00......./s1.

What are the key properties of bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane?

bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane has a molecular weight of 2047.08 g/mol, XLogP of 15.32, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(phosphanyl)phosphanyl-bis(phosphanyl)phosphane;(6S)-3-bromo-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;(6S)-3-(4-chloro-2,5-difluorophenyl)-N-cyclopropyl-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide;2-(4-chloro-2,5-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;cyclopropanamine;docosa-1,3,5,7,9,11,13,15,17,19,21-undecayne;ethyl (6S)-3-bromo-6-fluoro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxylate;hexadeca-2,4,6,8,10,12,14-heptayne;methane;trimethylalumane is sourced from PubChem (CID 162208276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).