[4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine

C210H293O19P7 — CID 158428203

About [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine

[4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine (PubChem CID 158428203) has the molecular formula C210H293O19P7 and a molecular weight of 3338.45 g/mol. Its IUPAC name is [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine.

Molecular Properties

• Compound Name: [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
• PubChem CID: 158428203
• Molecular Formula: C210H293O19P7
• Molecular Weight: 3338.45 g/mol
• Exact Mass: 3336.01
• IUPAC Name: [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
• SMILES: CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(CCCc2ccccc2)c1.CC(C)Cc1ccc(OP(Oc2ccc(CC(C)C)cc2C(C)(C)C)c2ccc(-c3ccc(P(Oc4ccc(C(C)(C)C)cc4C(C)(C)C)Oc4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)c(C(C)(C)C)c1.CCCCC1(CC)COP(Oc2c(C(C)(C)C)cc(CC(C)C)cc2C(C)(C)C)OC1.CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.COP1Oc2c(cc(CC(C)C)cc2C(C)(C)C)Cc2cc(CC(C)C)cc(C(C)(C)C)c2O1
• InChI: InChI=1S/C68H92O4P2.C53H58O6P2.C32H51O3P.C30H45O3P.C27H47O3P/c1-45(2)39-47-23-35-59(55(41-47)65(11,12)13)69-73(70-60-36-24-48(40-46(3)4)42-56(60)66(14,15)16)53-31-25-49(26-32-53)50-27-33-54(34-28-50)74(71-61-37-29-51(63(5,6)7)43-57(61)67(17,18)19)72-62-38-30-52(64(8,9)10)44-58(62)68(20,21)22;1-50(2,42-24-13-8-14-25-42)45-30-32-48(41(34-45)23-19-22-40-20-11-7-12-21-40)58-60-54-36-53(37-55-60)38-56-61(57-39-53)59-49-33-31-46(51(3,4)43-26-15-9-16-27-43)35-47(49)52(5,6)44-28-17-10-18-29-44;1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15;1-19(2)12-21-14-23-18-24-15-22(13-20(3)4)17-26(30(8,9)10)28(24)33-34(31-11)32-27(23)25(16-21)29(5,6)7;1-11-13-14-27(12-2)18-28-31(29-19-27)30-24-22(25(5,6)7)16-21(15-20(3)4)17-23(24)26(8,9)10/h23-38,41-46H,39-40H2,1-22H3;7-18,20-21,24-35H,19,22-23,36-39H2,1-6H3;17-20H,16H2,1-15H3;14-17,19-20H,12-13,18H2,1-11H3;16-17,20H,11-15,18-19H2,1-10H3
• InChIKey: HBHZFDXNZUSEQO-UHFFFAOYSA-N
• XLogP: 61.40
• TPSA: 175.37 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 48
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3338.45
LogP ≤ 5	61.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?

The IUPAC name of [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine (CID 158428203) is [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine.

What is the SMILES notation for [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?

The canonical SMILES for [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine is CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(CCCc2ccccc2)c1.CC(C)Cc1ccc(OP(Oc2ccc(CC(C)C)cc2C(C)(C)C)c2ccc(-c3ccc(P(Oc4ccc(C(C)(C)C)cc4C(C)(C)C)Oc4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)c(C(C)(C)C)c1.CCCCC1(CC)COP(Oc2c(C(C)(C)C)cc(CC(C)C)cc2C(C)(C)C)OC1.CCOP(Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C)Oc1c(C)cc(C(C)(C)C)cc1C(C)(C)C.COP1Oc2c(cc(CC(C)C)cc2C(C)(C)C)Cc2cc(CC(C)C)cc(C(C)(C)C)c2O1.

What is the InChIKey of [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?

The InChIKey is HBHZFDXNZUSEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H92O4P2.C53H58O6P2.C32H51O3P.C30H45O3P.C27H47O3P/c1-45(2)39-47-23-35-59(55(41-47)65(11,12)13)69-73(70-60-36-24-48(40-46(3)4)42-56(60)66(14,15)16)53-31-25-49(26-32-53)50-27-33-54(34-28-50)74(71-61-37-29-51(63(5,6)7)43-57(61)67(17,18)19)72-62-38-30-52(64(8,9)10)44-58(62)68(20,21)22;1-50(2,42-24-13-8-14-25-42)45-30-32-48(41(34-45)23-19-22-40-20-11-7-12-21-40)58-60-54-36-53(37-55-60)38-56-61(57-39-53)59-49-33-31-46(51(3,4)43-26-15-9-16-27-43)35-47(49)52(5,6)44-28-17-10-18-29-44;1-16-33-36(34-27-21(2)17-23(29(4,5)6)19-25(27)31(10,11)12)35-28-22(3)18-24(30(7,8)9)20-26(28)32(13,14)15;1-19(2)12-21-14-23-18-24-15-22(13-20(3)4)17-26(30(8,9)10)28(24)33-34(31-11)32-27(23)25(16-21)29(5,6)7;1-11-13-14-27(12-2)18-28-31(29-19-27)30-24-22(25(5,6)7)16-21(15-20(3)4)17-23(24)26(8,9)10/h23-38,41-46H,39-40H2,1-22H3;7-18,20-21,24-35H,19,22-23,36-39H2,1-6H3;17-20H,16H2,1-15H3;14-17,19-20H,12-13,18H2,1-11H3;16-17,20H,11-15,18-19H2,1-10H3.

What are the key properties of [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine?

[4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine has a molecular weight of 3338.45 g/mol, XLogP of 61.40, 48 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]phosphanylphenyl]phenyl]-bis(2,4-ditert-butylphenoxy)phosphane;bis(2,4-ditert-butyl-6-methylphenyl) ethyl phosphite;3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-(3-phenylpropyl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-2-[2,6-ditert-butyl-4-(2-methylpropyl)phenoxy]-5-ethyl-1,3,2-dioxaphosphinane;1,9-ditert-butyl-11-methoxy-3,7-bis(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine is sourced from PubChem (CID 158428203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).