bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole

C70H88BClF5N18O5P17 — CID 159494517

IUPACbis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
SMILESCC1(C)OB(c2cc(F)c3c(c2)CCN3)OC1(C)C.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccccc2F)n1.Cn1nccc1Nc1nccc(Cl)n1.O=C(O)Cc1ccccc1F.PPP(P(P)P)P(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C24H20F2N6O.C16H15FN6.C14H19BFNO2.C8H8ClN5.C8H7FO2.H19P17/c1-31-21(7-10-28-31)30-24-27-9-6-20(29-24)17-12-16-8-11-32(23(16)19(26)13-17)22(33)14-15-4-2-3-5-18(15)25;1-23-14(4-7-20-23)22-16-19-6-3-13(21-16)11-8-10-2-5-18-15(10)12(17)9-11;1-13(2)14(3,4)19-15(18-13)10-7-9-5-6-17-12(9)11(16)8-10;1-14-7(3-5-11-14)13-8-10-4-2-6(9)12-8;9-7-4-2-1-3-6(7)5-8(10)11;1-10-15(11(2)3)17(14(8)9)16(12(4)5)13(6)7/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,27,29,30);3-4,6-9,18H,2,5H2,1H3,(H,19,21,22);7-8,17H,5-6H2,1-4H3;2-5H,1H3,(H,10,12,13);1-4H,5H2,(H,10,11);10H,1-9H2
InChIKeyLYPPYKDXRLCJIP-UHFFFAOYSA-N
MW1929.41 g/mol
LogP21.47
Rot. Bonds20

About bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole (PubChem CID 159494517) has the molecular formula C70H88BClF5N18O5P17 and a molecular weight of 1929.41 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
PubChem CID159494517
Molecular FormulaC70H88BClF5N18O5P17
Molecular Weight1929.41 g/mol
Exact Mass1928.24
IUPAC Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole
SMILESCC1(C)OB(c2cc(F)c3c(c2)CCN3)OC1(C)C.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccccc2F)n1.Cn1nccc1Nc1nccc(Cl)n1.O=C(O)Cc1ccccc1F.PPP(P(P)P)P(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C24H20F2N6O.C16H15FN6.C14H19BFNO2.C8H8ClN5.C8H7FO2.H19P17/c1-31-21(7-10-28-31)30-24-27-9-6-20(29-24)17-12-16-8-11-32(23(16)19(26)13-17)22(33)14-15-4-2-3-5-18(15)25;1-23-14(4-7-20-23)22-16-19-6-3-13(21-16)11-8-10-2-5-18-15(10)12(17)9-11;1-13(2)14(3,4)19-15(18-13)10-7-9-5-6-17-12(9)11(16)8-10;1-14-7(3-5-11-14)13-8-10-4-2-6(9)12-8;9-7-4-2-1-3-6(7)5-8(10)11;1-10-15(11(2)3)17(14(8)9)16(12(4)5)13(6)7/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,27,29,30);3-4,6-9,18H,2,5H2,1H3,(H,19,21,22);7-8,17H,5-6H2,1-4H3;2-5H,1H3,(H,10,12,13);1-4H,5H2,(H,10,11);10H,1-9H2
InChIKeyLYPPYKDXRLCJIP-UHFFFAOYSA-N
XLogP21.47
TPSA267.02 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001929.41
LogP ≤ 521.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;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]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole (CID 159494517) is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;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]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;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]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;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.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3)n1.Cn1nccc1Nc1nccc(-c2cc(F)c3c(c2)CCN3C(=O)Cc2ccccc2F)n1.Cn1nccc1Nc1nccc(Cl)n1.O=C(O)Cc1ccccc1F.PPP(P(P)P)P(P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?
The InChIKey is LYPPYKDXRLCJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N6O.C16H15FN6.C14H19BFNO2.C8H8ClN5.C8H7FO2.H19P17/c1-31-21(7-10-28-31)30-24-27-9-6-20(29-24)17-12-16-8-11-32(23(16)19(26)13-17)22(33)14-15-4-2-3-5-18(15)25;1-23-14(4-7-20-23)22-16-19-6-3-13(21-16)11-8-10-2-5-18-15(10)12(17)9-11;1-13(2)14(3,4)19-15(18-13)10-7-9-5-6-17-12(9)11(16)8-10;1-14-7(3-5-11-14)13-8-10-4-2-6(9)12-8;9-7-4-2-1-3-6(7)5-8(10)11;1-10-15(11(2)3)17(14(8)9)16(12(4)5)13(6)7/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,27,29,30);3-4,6-9,18H,2,5H2,1H3,(H,19,21,22);7-8,17H,5-6H2,1-4H3;2-5H,1H3,(H,10,12,13);1-4H,5H2,(H,10,11);10H,1-9H2.
What are the key properties of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole?
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole has a molecular weight of 1929.41 g/mol, XLogP of 21.47, 20 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;4-chloro-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-(7-fluoro-2,3-dihydro-1H-indol-5-yl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;1-[7-fluoro-5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydroindol-1-yl]-2-(2-fluorophenyl)ethanone;2-(2-fluorophenyl)acetic acid;7-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 159494517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).