4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

C348H472O36P12 — CID 160542160

IUPAC4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCC(C)(C)c1cc(C(C)(C)c2ccccc2)cc(-c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)c4ccccc4)cc3c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)C)c3o2)c1OP1OCCO1.CCC(C)(C)c1cc(-c2cc(C(C)(C)CC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)CC)cc3c3cc(C(C)(C)CC)cc(C(C)(C)C)c3o2)c(OP2OCCO2)c(C(C)(C)C)c1.CCC(C)(C)c1cc(C(C)(C)CC)c2op(Oc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OP4OCCO4)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(C(C)(C)CC)cc(C(C)(C)CC)cc3c2c1.CCc1cc(-c2cc(CC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(CC)cc3c3cc(CC)cc(C(C)(C)C)c3o2)c(OP2OCCO2)c(C(C)(C)C)c1.CCc1cc(CC)c2op(Oc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OP4OCCO4)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(CC)cc(CC)cc3c2c1.Cc1cc(C)c2op(Oc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OP4OCCO4)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C78H92O6P2.2C62H92O6P2.2C50H68O6P2.C46H60O6P2/c1-71(2,3)63-47-55(75(13,14)51-33-25-21-26-34-51)43-59(67(63)81-85-79-41-42-80-85)60-44-56(76(15,16)52-35-27-22-28-36-52)48-64(72(4,5)6)68(60)82-86-83-69-61(45-57(49-65(69)73(7,8)9)77(17,18)53-37-29-23-30-38-53)62-46-58(50-66(70(62)84-86)74(10,11)12)78(19,20)54-39-31-24-32-40-54;1-25-59(17,18)39-31-43(51(47(35-39)55(5,6)7)65-69-63-29-30-64-69)44-32-40(60(19,20)26-2)36-48(56(8,9)10)52(44)66-70-67-53-45(33-41(61(21,22)27-3)37-49(53)57(11,12)13)46-34-42(62(23,24)28-4)38-50(54(46)68-70)58(14,15)16;1-25-59(17,18)41-33-45-46-34-42(60(19,20)26-2)38-50(62(23,24)28-4)54(46)68-70(67-53(45)49(37-41)61(21,22)27-3)66-52-44(32-40(56(8,9)10)36-48(52)58(14,15)16)43-31-39(55(5,6)7)35-47(57(11,12)13)51(43)65-69-63-29-30-64-69;1-17-31-23-35(43(39(27-31)47(5,6)7)53-57-51-21-22-52-57)36-24-32(18-2)28-40(48(8,9)10)44(36)54-58-55-45-37(25-33(19-3)29-41(45)49(11,12)13)38-26-34(20-4)30-42(46(38)56-58)50(14,15)16;1-17-31-23-33(19-3)43-37(25-31)38-26-32(18-2)24-34(20-4)44(38)54-58(53-43)56-46-40(28-36(48(8,9)10)30-42(46)50(14,15)16)39-27-35(47(5,6)7)29-41(49(11,12)13)45(39)55-57-51-21-22-52-57;1-27-19-29(3)39-33(21-27)34-22-28(2)20-30(4)40(34)50-54(49-39)52-42-36(24-32(44(8,9)10)26-38(42)46(14,15)16)35-23-31(43(5,6)7)25-37(45(11,12)13)41(35)51-53-47-17-18-48-53/h21-40,43-50H,41-42H2,1-20H3;2*31-38H,25-30H2,1-24H3;2*23-30H,17-22H2,1-16H3;19-26H,17-18H2,1-16H3
InChIKeyQWXTZNKALWBSMO-UHFFFAOYSA-N
MW5603.26 g/mol
LogP110.39
Rot. Bonds62

About 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine

4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (PubChem CID 160542160) has the molecular formula C348H472O36P12 and a molecular weight of 5603.26 g/mol. Its IUPAC name is 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.

Molecular Properties

Compound Name4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
PubChem CID160542160
Molecular FormulaC348H472O36P12
Molecular Weight5603.26 g/mol
Exact Mass5599.20
IUPAC Name4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine
SMILESCC(C)(C)c1cc(C(C)(C)c2ccccc2)cc(-c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)c4ccccc4)cc3c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)C)c3o2)c1OP1OCCO1.CCC(C)(C)c1cc(-c2cc(C(C)(C)CC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)CC)cc3c3cc(C(C)(C)CC)cc(C(C)(C)C)c3o2)c(OP2OCCO2)c(C(C)(C)C)c1.CCC(C)(C)c1cc(C(C)(C)CC)c2op(Oc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OP4OCCO4)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(C(C)(C)CC)cc(C(C)(C)CC)cc3c2c1.CCc1cc(-c2cc(CC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(CC)cc3c3cc(CC)cc(C(C)(C)C)c3o2)c(OP2OCCO2)c(C(C)(C)C)c1.CCc1cc(CC)c2op(Oc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OP4OCCO4)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(CC)cc(CC)cc3c2c1.Cc1cc(C)c2op(Oc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OP4OCCO4)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(C)cc(C)cc3c2c1
InChIInChI=1S/C78H92O6P2.2C62H92O6P2.2C50H68O6P2.C46H60O6P2/c1-71(2,3)63-47-55(75(13,14)51-33-25-21-26-34-51)43-59(67(63)81-85-79-41-42-80-85)60-44-56(76(15,16)52-35-27-22-28-36-52)48-64(72(4,5)6)68(60)82-86-83-69-61(45-57(49-65(69)73(7,8)9)77(17,18)53-37-29-23-30-38-53)62-46-58(50-66(70(62)84-86)74(10,11)12)78(19,20)54-39-31-24-32-40-54;1-25-59(17,18)39-31-43(51(47(35-39)55(5,6)7)65-69-63-29-30-64-69)44-32-40(60(19,20)26-2)36-48(56(8,9)10)52(44)66-70-67-53-45(33-41(61(21,22)27-3)37-49(53)57(11,12)13)46-34-42(62(23,24)28-4)38-50(54(46)68-70)58(14,15)16;1-25-59(17,18)41-33-45-46-34-42(60(19,20)26-2)38-50(62(23,24)28-4)54(46)68-70(67-53(45)49(37-41)61(21,22)27-3)66-52-44(32-40(56(8,9)10)36-48(52)58(14,15)16)43-31-39(55(5,6)7)35-47(57(11,12)13)51(43)65-69-63-29-30-64-69;1-17-31-23-35(43(39(27-31)47(5,6)7)53-57-51-21-22-52-57)36-24-32(18-2)28-40(48(8,9)10)44(36)54-58-55-45-37(25-33(19-3)29-41(45)49(11,12)13)38-26-34(20-4)30-42(46(38)56-58)50(14,15)16;1-17-31-23-33(19-3)43-37(25-31)38-26-32(18-2)24-34(20-4)44(38)54-58(53-43)56-46-40(28-36(48(8,9)10)30-42(46)50(14,15)16)39-27-35(47(5,6)7)29-41(49(11,12)13)45(39)55-57-51-21-22-52-57;1-27-19-29(3)39-33(21-27)34-22-28(2)20-30(4)40(34)50-54(49-39)52-42-36(24-32(44(8,9)10)26-38(42)46(14,15)16)35-23-31(43(5,6)7)25-37(45(11,12)13)41(35)51-53-47-17-18-48-53/h21-40,43-50H,41-42H2,1-20H3;2*31-38H,25-30H2,1-24H3;2*23-30H,17-22H2,1-16H3;19-26H,17-18H2,1-16H3
InChIKeyQWXTZNKALWBSMO-UHFFFAOYSA-N
XLogP110.39
TPSA379.20 Ų
H-Bond Donors
H-Bond Acceptors36
Rotatable Bonds62
Heavy Atoms396
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005603.26
LogP ≤ 5110.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1036

Analyze 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine with MolForge

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What is the IUPAC name of 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The IUPAC name of 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine (CID 160542160) is 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine.
What is the SMILES notation for 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The canonical SMILES for 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is CC(C)(C)c1cc(C(C)(C)c2ccccc2)cc(-c2cc(C(C)(C)c3ccccc3)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)c4ccccc4)cc3c3cc(C(C)(C)c4ccccc4)cc(C(C)(C)C)c3o2)c1OP1OCCO1.CCC(C)(C)c1cc(-c2cc(C(C)(C)CC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(C(C)(C)CC)cc3c3cc(C(C)(C)CC)cc(C(C)(C)C)c3o2)c(OP2OCCO2)c(C(C)(C)C)c1.CCC(C)(C)c1cc(C(C)(C)CC)c2op(Oc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OP4OCCO4)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(C(C)(C)CC)cc(C(C)(C)CC)cc3c2c1.CCc1cc(-c2cc(CC)cc(C(C)(C)C)c2Op2oc3c(C(C)(C)C)cc(CC)cc3c3cc(CC)cc(C(C)(C)C)c3o2)c(OP2OCCO2)c(C(C)(C)C)c1.CCc1cc(CC)c2op(Oc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OP4OCCO4)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(CC)cc(CC)cc3c2c1.Cc1cc(C)c2op(Oc3c(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4OP4OCCO4)cc(C(C)(C)C)cc3C(C)(C)C)oc3c(C)cc(C)cc3c2c1.
What is the InChIKey of 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
The InChIKey is QWXTZNKALWBSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H92O6P2.2C62H92O6P2.2C50H68O6P2.C46H60O6P2/c1-71(2,3)63-47-55(75(13,14)51-33-25-21-26-34-51)43-59(67(63)81-85-79-41-42-80-85)60-44-56(76(15,16)52-35-27-22-28-36-52)48-64(72(4,5)6)68(60)82-86-83-69-61(45-57(49-65(69)73(7,8)9)77(17,18)53-37-29-23-30-38-53)62-46-58(50-66(70(62)84-86)74(10,11)12)78(19,20)54-39-31-24-32-40-54;1-25-59(17,18)39-31-43(51(47(35-39)55(5,6)7)65-69-63-29-30-64-69)44-32-40(60(19,20)26-2)36-48(56(8,9)10)52(44)66-70-67-53-45(33-41(61(21,22)27-3)37-49(53)57(11,12)13)46-34-42(62(23,24)28-4)38-50(54(46)68-70)58(14,15)16;1-25-59(17,18)41-33-45-46-34-42(60(19,20)26-2)38-50(62(23,24)28-4)54(46)68-70(67-53(45)49(37-41)61(21,22)27-3)66-52-44(32-40(56(8,9)10)36-48(52)58(14,15)16)43-31-39(55(5,6)7)35-47(57(11,12)13)51(43)65-69-63-29-30-64-69;1-17-31-23-35(43(39(27-31)47(5,6)7)53-57-51-21-22-52-57)36-24-32(18-2)28-40(48(8,9)10)44(36)54-58-55-45-37(25-33(19-3)29-41(45)49(11,12)13)38-26-34(20-4)30-42(46(38)56-58)50(14,15)16;1-17-31-23-33(19-3)43-37(25-31)38-26-32(18-2)24-34(20-4)44(38)54-58(53-43)56-46-40(28-36(48(8,9)10)30-42(46)50(14,15)16)39-27-35(47(5,6)7)29-41(49(11,12)13)45(39)55-57-51-21-22-52-57;1-27-19-29(3)39-33(21-27)34-22-28(2)20-30(4)40(34)50-54(49-39)52-42-36(24-32(44(8,9)10)26-38(42)46(14,15)16)35-23-31(43(5,6)7)25-37(45(11,12)13)41(35)51-53-47-17-18-48-53/h21-40,43-50H,41-42H2,1-20H3;2*31-38H,25-30H2,1-24H3;2*23-30H,17-22H2,1-16H3;19-26H,17-18H2,1-16H3.
What are the key properties of 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine?
4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine has a molecular weight of 5603.26 g/mol, XLogP of 110.39, 62 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-ethylphenyl]-4-ethylphenoxy]-2,10-diethylbenzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-methylbutan-2-yl)phenyl]-4-(2-methylbutan-2-yl)phenoxy]-2,10-bis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;4,8-ditert-butyl-6-[2-tert-butyl-6-[3-tert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)phenoxy]-2,10-bis(2-phenylpropan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetraethylbenzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetrakis(2-methylbutan-2-yl)benzo[d][1,3,2]benzodioxaphosphepine;6-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-(1,3,2-dioxaphospholan-2-yloxy)phenyl]phenoxy]-2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepine is sourced from PubChem (CID 160542160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).