bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane

C82H93O6P — CID 101475595

About bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane

bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane (PubChem CID 101475595) has the molecular formula C82H93O6P and a molecular weight of 1205.61 g/mol. Its IUPAC name is bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane.

Molecular Properties

• Compound Name: bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane
• PubChem CID: 101475595
• Molecular Formula: C82H93O6P
• Molecular Weight: 1205.61 g/mol
• Exact Mass: 1204.67
• IUPAC Name: bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane
• SMILES: COc1c2cccc1Cc1cccc(c1OC)Cc1cccc(c1OC)Cc1cccc(c1OCc1ccc(P(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc1)Cc1cccc(c1OC)Cc1cccc(c1OC)C2
• InChI: InChI=1S/C82H93O6P/c1-79(2,3)66-46-67(80(4,5)6)49-71(48-66)89(72-50-68(81(7,8)9)47-69(51-72)82(10,11)12)70-38-36-53(37-39-70)52-88-78-64-34-23-35-65(78)45-63-33-22-31-61(77(63)87-17)43-59-29-20-27-57(75(59)85-15)41-55-25-18-24-54(73(55)83-13)40-56-26-19-28-58(74(56)84-14)42-60-30-21-32-62(44-64)76(60)86-16/h18-39,46-51H,40-45,52H2,1-17H3
• InChIKey: OHFWMNPFMFWIJU-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.61
LogP ≤ 5	18.11
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 bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane?

The IUPAC name of bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane (CID 101475595) is bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane.

What is the SMILES notation for bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane?

The canonical SMILES for bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane is COc1c2cccc1Cc1cccc(c1OC)Cc1cccc(c1OC)Cc1cccc(c1OCc1ccc(P(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc1)Cc1cccc(c1OC)Cc1cccc(c1OC)C2.

What is the InChIKey of bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane?

The InChIKey is OHFWMNPFMFWIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H93O6P/c1-79(2,3)66-46-67(80(4,5)6)49-71(48-66)89(72-50-68(81(7,8)9)47-69(51-72)82(10,11)12)70-38-36-53(37-39-70)52-88-78-64-34-23-35-65(78)45-63-33-22-31-61(77(63)87-17)43-59-29-20-27-57(75(59)85-15)41-55-25-18-24-54(73(55)83-13)40-56-26-19-28-58(74(56)84-14)42-60-30-21-32-62(44-64)76(60)86-16/h18-39,46-51H,40-45,52H2,1-17H3.

What are the key properties of bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane?

bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane has a molecular weight of 1205.61 g/mol, XLogP of 18.11, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,5-ditert-butylphenyl)-[4-[(38,39,40,41,42-pentamethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaenyl)oxymethyl]phenyl]phosphane is sourced from PubChem (CID 101475595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).