[2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane

C108H122O6P2 — CID 101436899

About [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane

[2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane (PubChem CID 101436899) has the molecular formula C108H122O6P2 and a molecular weight of 1578.11 g/mol. Its IUPAC name is [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane.

Molecular Properties

• Compound Name: [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane
• PubChem CID: 101436899
• Molecular Formula: C108H122O6P2
• Molecular Weight: 1578.11 g/mol
• Exact Mass: 1576.87
• IUPAC Name: [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane
• SMILES: COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCc1ccccc1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCc1ccccc1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OC)C2
• InChI: InChI=1S/C108H122O6P2/c1-103(2,3)85-57-73-51-74-58-86(104(4,5)6)62-78(98(74)110-20)54-83-67-90(108(16,17)18)68-84(102(83)114-70-72-40-36-38-50-96(72)116(93-45-31-25-32-46-93)94-47-33-26-34-48-94)56-80-64-88(106(10,11)12)60-76(100(80)112-22)52-75-59-87(105(7,8)9)63-79(99(75)111-21)55-82-66-89(107(13,14)15)65-81(53-77(61-85)97(73)109-19)101(82)113-69-71-39-35-37-49-95(71)115(91-41-27-23-28-42-91)92-43-29-24-30-44-92/h23-50,57-68H,51-56,69-70H2,1-22H3
• InChIKey: PRSHKBMMGHWNHY-UHFFFAOYSA-N
• XLogP: 24.04
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1578.11
LogP ≤ 5	24.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane?

The IUPAC name of [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane (CID 101436899) is [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane.

What is the SMILES notation for [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane?

The canonical SMILES for [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane is COc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCc1ccccc1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OC)Cc1cc(C(C)(C)C)cc(c1OCc1ccccc1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OC)C2.

What is the InChIKey of [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane?

The InChIKey is PRSHKBMMGHWNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H122O6P2/c1-103(2,3)85-57-73-51-74-58-86(104(4,5)6)62-78(98(74)110-20)54-83-67-90(108(16,17)18)68-84(102(83)114-70-72-40-36-38-50-96(72)116(93-45-31-25-32-46-93)94-47-33-26-34-48-94)56-80-64-88(106(10,11)12)60-76(100(80)112-22)52-75-59-87(105(7,8)9)63-79(99(75)111-21)55-82-66-89(107(13,14)15)65-81(53-77(61-85)97(73)109-19)101(82)113-69-71-39-35-37-49-95(71)115(91-41-27-23-28-42-91)92-43-29-24-30-44-92/h23-50,57-68H,51-56,69-70H2,1-22H3.

What are the key properties of [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane?

[2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane has a molecular weight of 1578.11 g/mol, XLogP of 24.04, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[5,11,17,23,29,35-hexatert-butyl-40-[(2-diphenylphosphanylphenyl)methoxy]-38,39,41,42-tetramethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9(41),10,12,15,17,19(40),21,23,25(39),27(38),28,30,33(37),34-octadecaenyl]oxymethyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 101436899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).