[bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate

C25H151NO6P106 — CID 90688780

IUPAC[bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCCCCCN1C(=O)C(C)=C(C)C1=O.PP(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)C(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(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(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C18H29NO4.C6H12O2.CH110P106/c1-6-18(4,5)17(22)23-12-10-8-7-9-11-19-15(20)13(2)14(3)16(19)21;1-4-6(2,3)5(7)8;2-61(3)88(56)91(97(66(12)13)67(14)15)58(92(98(68(16)17)69(18)19)99(70(20)21)71(22)23)1(57(89(62(4)5)63(6)7)90(64(8)9)65(10)11,59(93(100(72(24)25)73(26)27)101(74(28)29)75(30)31)94(102(76(32)33)77(34)35)103(78(36)37)79(38)39)60(95(104(80(40)41)81(42)43)105(82(44)45)83(46)47)96(106(84(48)49)85(50)51)107(86(52)53)87(54)55/h6-12H2,1-5H3;4H2,1-3H3,(H,7,8);2-56H2
InChIKeySPLNTXARUFLOLR-UHFFFAOYSA-N
MW3845.73 g/mol
LogP66.37
Rot. Bonds62

About [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate

[bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate (PubChem CID 90688780) has the molecular formula C25H151NO6P106 and a molecular weight of 3845.73 g/mol. Its IUPAC name is [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name[bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate
PubChem CID90688780
Molecular FormulaC25H151NO6P106
Molecular Weight3845.73 g/mol
Exact Mass3845.37
IUPAC Name[bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCCCCCN1C(=O)C(C)=C(C)C1=O.PP(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)C(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(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(P)P)P(P(P)P)P(P)P
InChIInChI=1S/C18H29NO4.C6H12O2.CH110P106/c1-6-18(4,5)17(22)23-12-10-8-7-9-11-19-15(20)13(2)14(3)16(19)21;1-4-6(2,3)5(7)8;2-61(3)88(56)91(97(66(12)13)67(14)15)58(92(98(68(16)17)69(18)19)99(70(20)21)71(22)23)1(57(89(62(4)5)63(6)7)90(64(8)9)65(10)11,59(93(100(72(24)25)73(26)27)101(74(28)29)75(30)31)94(102(76(32)33)77(34)35)103(78(36)37)79(38)39)60(95(104(80(40)41)81(42)43)105(82(44)45)83(46)47)96(106(84(48)49)85(50)51)107(86(52)53)87(54)55/h6-12H2,1-5H3;4H2,1-3H3,(H,7,8);2-56H2
InChIKeySPLNTXARUFLOLR-UHFFFAOYSA-N
XLogP66.37
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds62
Heavy Atoms138
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003845.73
LogP ≤ 566.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate with MolForge

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Related Compounds

6-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate
CID 23561587
6-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate;2-methoxyethyl 2,2-dimethylbutanoate
CID 158881673
2,2-Dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate
CID 161334520
6-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate;ethyl 2,2-dimethylbutanoate
CID 161641882
Sodium;2,2-dimethylbutanoate;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate;methane
CID 161727573
6-(3,4-Dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate;methyl 2,2-dimethylbutanoate
CID 162026569
Sodium;2,2-dimethylbutanoate;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate
CID 162245699

Frequently Asked Questions

What is the IUPAC name of [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate?
The IUPAC name of [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate (CID 90688780) is [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate.
What is the SMILES notation for [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate?
The canonical SMILES for [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)O.CCC(C)(C)C(=O)OCCCCCCN1C(=O)C(C)=C(C)C1=O.PP(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)C(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(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(P)P)P(P(P)P)P(P)P.
What is the InChIKey of [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate?
The InChIKey is SPLNTXARUFLOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO4.C6H12O2.CH110P106/c1-6-18(4,5)17(22)23-12-10-8-7-9-11-19-15(20)13(2)14(3)16(19)21;1-4-6(2,3)5(7)8;2-61(3)88(56)91(97(66(12)13)67(14)15)58(92(98(68(16)17)69(18)19)99(70(20)21)71(22)23)1(57(89(62(4)5)63(6)7)90(64(8)9)65(10)11,59(93(100(72(24)25)73(26)27)101(74(28)29)75(30)31)94(102(76(32)33)77(34)35)103(78(36)37)79(38)39)60(95(104(80(40)41)81(42)43)105(82(44)45)83(46)47)96(106(84(48)49)85(50)51)107(86(52)53)87(54)55/h6-12H2,1-5H3;4H2,1-3H3,(H,7,8);2-56H2.
What are the key properties of [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate?
[bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate has a molecular weight of 3845.73 g/mol, XLogP of 66.37, 62 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [bis[bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphanyl]-[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]methyl]-bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphane;2,2-dimethylbutanoic acid;6-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexyl 2,2-dimethylbutanoate is sourced from PubChem (CID 90688780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).