bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole

C116H121BBrCl3F5N24O6P9 — CID 158733705

About bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole

bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole (PubChem CID 158733705) has the molecular formula C116H121BBrCl3F5N24O6P9 and a molecular weight of 2518.24 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

• Compound Name: bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
• PubChem CID: 158733705
• Molecular Formula: C116H121BBrCl3F5N24O6P9
• Molecular Weight: 2518.24 g/mol
• Exact Mass: 2514.58
• IUPAC Name: bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
• SMILES: CC1(C)OB(c2cc(F)c3c(c2)CCN3)OC1(C)C.Cn1nccc1Cc1cc(-c2cc(F)c3c(c2)CCN3)ccn1.Cn1nccc1Cc1cc(-c2cc(F)c3c(c2)CCN3)ccn1.Cn1nccc1Cc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.Cn1nccc1Cc1cc(Br)ccn1.Cn1nccc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.O=C(O)Cc1cccnc1Cl.PPP(P(P)P)P(P)P
• InChI: InChI=1S/C25H21ClFN5O.C24H20ClFN6O.2C18H17FN4.C14H19BFNO2.C10H10BrN3.C7H6ClNO2.H11P9/c1-31-21(5-9-30-31)15-20-12-16(4-8-28-20)19-11-17-6-10-32(24(17)22(27)13-19)23(33)14-18-3-2-7-29-25(18)26;1-31-21(5-9-29-31)30-20-13-15(4-8-27-20)18-11-16-6-10-32(23(16)19(26)12-18)22(33)14-17-3-2-7-28-24(17)25;2*1-23-16(4-7-22-23)11-15-9-12(2-5-20-15)14-8-13-3-6-21-18(13)17(19)10-14;1-13(2)14(3,4)19-15(18-13)10-7-9-5-6-17-12(9)11(16)8-10;1-14-10(3-5-13-14)7-9-6-8(11)2-4-12-9;8-7-5(4-6(10)11)2-1-3-9-7;1-6-9(7(2)3)8(4)5/h2-5,7-9,11-13H,6,10,14-15H2,1H3;2-5,7-9,11-13H,6,10,14H2,1H3,(H,27,30);2*2,4-5,7-10,21H,3,6,11H2,1H3;7-8,17H,5-6H2,1-4H3;2-6H,7H2,1H3;1-3H,4H2,(H,10,11);6H,1-5H2
• InChIKey: ILKINONKSIDVOZ-UHFFFAOYSA-N
• XLogP: 25.73
• TPSA: 336.72 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.24
LogP ≤ 5	25.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?

The IUPAC name of bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole (CID 158733705) is bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole.

What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?

The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole is CC1(C)OB(c2cc(F)c3c(c2)CCN3)OC1(C)C.Cn1nccc1Cc1cc(-c2cc(F)c3c(c2)CCN3)ccn1.Cn1nccc1Cc1cc(-c2cc(F)c3c(c2)CCN3)ccn1.Cn1nccc1Cc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.Cn1nccc1Cc1cc(Br)ccn1.Cn1nccc1Nc1cc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2cccnc2Cl)ccn1.O=C(O)Cc1cccnc1Cl.PPP(P(P)P)P(P)P.

What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?

The InChIKey is ILKINONKSIDVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN5O.C24H20ClFN6O.2C18H17FN4.C14H19BFNO2.C10H10BrN3.C7H6ClNO2.H11P9/c1-31-21(5-9-30-31)15-20-12-16(4-8-28-20)19-11-17-6-10-32(24(17)22(27)13-19)23(33)14-18-3-2-7-29-25(18)26;1-31-21(5-9-29-31)30-20-13-15(4-8-27-20)18-11-16-6-10-32(23(16)19(26)12-18)22(33)14-17-3-2-7-28-24(17)25;2*1-23-16(4-7-22-23)11-15-9-12(2-5-20-15)14-8-13-3-6-21-18(13)17(19)10-14;1-13(2)14(3,4)19-15(18-13)10-7-9-5-6-17-12(9)11(16)8-10;1-14-10(3-5-13-14)7-9-6-8(11)2-4-12-9;8-7-5(4-6(10)11)2-1-3-9-7;1-6-9(7(2)3)8(4)5/h2-5,7-9,11-13H,6,10,14-15H2,1H3;2-5,7-9,11-13H,6,10,14H2,1H3,(H,27,30);2*2,4-5,7-10,21H,3,6,11H2,1H3;7-8,17H,5-6H2,1-4H3;2-6H,7H2,1H3;1-3H,4H2,(H,10,11);6H,1-5H2.

What are the key properties of bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?

bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 2518.24 g/mol, XLogP of 25.73, 24 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;4-bromo-2-[(2-methylpyrazol-3-yl)methyl]pyridine;2-(2-chloro-3-pyridinyl)acetic acid;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;2-(2-chloro-3-pyridinyl)-1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydroindol-1-yl]ethanone;bis(7-fluoro-5-[2-[(2-methylpyrazol-3-yl)methyl]-4-pyridinyl]-2,3-dihydro-1H-indole);7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 158733705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).