3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane

C200H216O24P8 — CID 159794438

IUPAC3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
SMILESC.C.C.C.CC(C)(c1ccccc1)c1cc(OP2OCC3(CO2)COP(Oc2cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c2)OC3)cc(C(C)(C)c2ccccc2)c1.CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(C(C)(C)c2ccccc2)c1.c1ccc(Cc2cc(Cc3ccccc3)cc(OP3OCC4(CO3)COP(Oc3cc(Cc5ccccc5)cc(Cc5ccccc5)c3)OC4)c2)cc1.c1ccc(Cc2ccc(OP3OCC4(CO3)COP(Oc3ccc(Cc5ccccc5)cc3Cc3ccccc3)OC4)c(Cc3ccccc3)c2)cc1
InChIInChI=1S/2C53H58O6P2.2C45H42O6P2.4CH4/c1-49(2,39-21-13-9-14-22-39)43-29-44(50(3,4)40-23-15-10-16-24-40)32-47(31-43)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-33-45(51(5,6)41-25-17-11-18-26-41)30-46(34-48)52(7,8)42-27-19-12-20-28-42;1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42;1-5-13-35(14-6-1)21-39-25-40(22-36-15-7-2-8-16-36)28-43(27-39)50-52-46-31-45(32-47-52)33-48-53(49-34-45)51-44-29-41(23-37-17-9-3-10-18-37)26-42(30-44)24-38-19-11-4-12-20-38;1-5-13-35(14-6-1)25-39-21-23-43(41(29-39)27-37-17-9-3-10-18-37)50-52-46-31-45(32-47-52)33-48-53(49-34-45)51-44-24-22-40(26-36-15-7-2-8-16-36)30-42(44)28-38-19-11-4-12-20-38;;;;/h2*9-34H,35-38H2,1-8H3;1-20,25-30H,21-24,31-34H2;1-24,29-30H,25-28,31-34H2;4*1H4
InChIKeyNIZIOMLTGKJESJ-UHFFFAOYSA-N
MW3251.70 g/mol
LogP52.59
Rot. Bonds48

About 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane

3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane (PubChem CID 159794438) has the molecular formula C200H216O24P8 and a molecular weight of 3251.70 g/mol. Its IUPAC name is 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane.

Molecular Properties

Compound Name3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
PubChem CID159794438
Molecular FormulaC200H216O24P8
Molecular Weight3251.70 g/mol
Exact Mass3249.36
IUPAC Name3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
SMILESC.C.C.C.CC(C)(c1ccccc1)c1cc(OP2OCC3(CO2)COP(Oc2cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c2)OC3)cc(C(C)(C)c2ccccc2)c1.CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(C(C)(C)c2ccccc2)c1.c1ccc(Cc2cc(Cc3ccccc3)cc(OP3OCC4(CO3)COP(Oc3cc(Cc5ccccc5)cc(Cc5ccccc5)c3)OC4)c2)cc1.c1ccc(Cc2ccc(OP3OCC4(CO3)COP(Oc3ccc(Cc5ccccc5)cc3Cc3ccccc3)OC4)c(Cc3ccccc3)c2)cc1
InChIInChI=1S/2C53H58O6P2.2C45H42O6P2.4CH4/c1-49(2,39-21-13-9-14-22-39)43-29-44(50(3,4)40-23-15-10-16-24-40)32-47(31-43)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-33-45(51(5,6)41-25-17-11-18-26-41)30-46(34-48)52(7,8)42-27-19-12-20-28-42;1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42;1-5-13-35(14-6-1)21-39-25-40(22-36-15-7-2-8-16-36)28-43(27-39)50-52-46-31-45(32-47-52)33-48-53(49-34-45)51-44-29-41(23-37-17-9-3-10-18-37)26-42(30-44)24-38-19-11-4-12-20-38;1-5-13-35(14-6-1)25-39-21-23-43(41(29-39)27-37-17-9-3-10-18-37)50-52-46-31-45(32-47-52)33-48-53(49-34-45)51-44-24-22-40(26-36-15-7-2-8-16-36)30-42(44)28-38-19-11-4-12-20-38;;;;/h2*9-34H,35-38H2,1-8H3;1-20,25-30H,21-24,31-34H2;1-24,29-30H,25-28,31-34H2;4*1H4
InChIKeyNIZIOMLTGKJESJ-UHFFFAOYSA-N
XLogP52.59
TPSA221.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003251.70
LogP ≤ 552.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane with MolForge

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Related Compounds

3-[2,4-bis(2-phenylpropan-2-yl)phenoxy]-9-[2-(2-phenylpropan-2-yl)-4-propan-2-ylphenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;toluene
CID 160523829
3,9-bis[2-[(3E)-3-ethenyl-2-methylhexa-3,5-dien-2-yl]-4-(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 142136555
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraza-3,9-diphosphaspiro[5.5]undecane
CID 141356478
3,9-bis(4-tert-butyl-2-methylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 14094156
1-[bis[2-tert-butyl-4-(2-methylpropyl)phenoxy]methoxy]-2-tert-butyl-4-(2-methylpropyl)benzene;9-[2-tert-butyl-4-(2-methylpropyl)phenoxy]-3-(2,4-ditert-butylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane
CID 158804027
1-benzyl-2,8-bis(2,4-ditert-butylphenoxy)-3,7,9-trioxa-1-aza-2,8-diphosphaspiro[4.5]decane
CID 19742179
4-[2-(2,4-dibenzylphenyl)propan-2-yl]phenol
CID 142758885
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;5-butyl-5-ethyl-2-(2,4,6-tritert-butylphenoxy)-1,3,2-dioxaphosphinane;1,3,9-tritert-butyl-11-methoxy-7-(2-methylpropyl)-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 160573857
3-(2,6-ditert-butyl-4-methylphenoxy)-9-phenylmethoxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
CID 175385087
[2,4-bis(2-phenylpropan-2-yl)phenyl] methyl [4-(2-phenylpropan-2-yl)phenyl] phosphite
CID 58388390
[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
bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-tert-butylphosphane
CID 162462392

Frequently Asked Questions

What is the IUPAC name of 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane?
The IUPAC name of 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane (CID 159794438) is 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane.
What is the SMILES notation for 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane?
The canonical SMILES for 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane is C.C.C.C.CC(C)(c1ccccc1)c1cc(OP2OCC3(CO2)COP(Oc2cc(C(C)(C)c4ccccc4)cc(C(C)(C)c4ccccc4)c2)OC3)cc(C(C)(C)c2ccccc2)c1.CC(C)(c1ccccc1)c1ccc(OP2OCC3(CO2)COP(Oc2ccc(C(C)(C)c4ccccc4)cc2C(C)(C)c2ccccc2)OC3)c(C(C)(C)c2ccccc2)c1.c1ccc(Cc2cc(Cc3ccccc3)cc(OP3OCC4(CO3)COP(Oc3cc(Cc5ccccc5)cc(Cc5ccccc5)c3)OC4)c2)cc1.c1ccc(Cc2ccc(OP3OCC4(CO3)COP(Oc3ccc(Cc5ccccc5)cc3Cc3ccccc3)OC4)c(Cc3ccccc3)c2)cc1.
What is the InChIKey of 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane?
The InChIKey is NIZIOMLTGKJESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H58O6P2.2C45H42O6P2.4CH4/c1-49(2,39-21-13-9-14-22-39)43-29-44(50(3,4)40-23-15-10-16-24-40)32-47(31-43)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-33-45(51(5,6)41-25-17-11-18-26-41)30-46(34-48)52(7,8)42-27-19-12-20-28-42;1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42;1-5-13-35(14-6-1)21-39-25-40(22-36-15-7-2-8-16-36)28-43(27-39)50-52-46-31-45(32-47-52)33-48-53(49-34-45)51-44-29-41(23-37-17-9-3-10-18-37)26-42(30-44)24-38-19-11-4-12-20-38;1-5-13-35(14-6-1)25-39-21-23-43(41(29-39)27-37-17-9-3-10-18-37)50-52-46-31-45(32-47-52)33-48-53(49-34-45)51-44-24-22-40(26-36-15-7-2-8-16-36)30-42(44)28-38-19-11-4-12-20-38;;;;/h2*9-34H,35-38H2,1-8H3;1-20,25-30H,21-24,31-34H2;1-24,29-30H,25-28,31-34H2;4*1H4.
What are the key properties of 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane?
3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane has a molecular weight of 3251.70 g/mol, XLogP of 52.59, 48 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis[3,5-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(2,4-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;3,9-bis(3,5-dibenzylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane;methane is sourced from PubChem (CID 159794438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).