2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol

C66H101O4P — CID 139721810

IUPAC2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(-c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2OP2Oc3c(cc(C(C)(C)CC)cc3C(C)(C)CC)C(C)c3cc(C(C)(C)CC)cc(C(C)(C)CC)c3O2)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C66H101O4P/c1-26-59(10,11)43-34-47-42(9)48-35-44(60(12,13)27-2)40-53(65(22,23)32-7)57(48)69-71(68-56(47)52(39-43)64(20,21)31-6)70-58-50(37-46(62(16,17)29-4)41-54(58)66(24,25)33-8)49-36-45(61(14,15)28-3)38-51(55(49)67)63(18,19)30-5/h34-42,67H,26-33H2,1-25H3
InChIKeyPHJSIWVLJYMXON-UHFFFAOYSA-N
MW989.50 g/mol
LogP20.79
Rot. Bonds19

About 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol

2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol (PubChem CID 139721810) has the molecular formula C66H101O4P and a molecular weight of 989.50 g/mol. Its IUPAC name is 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol.

Molecular Properties

Compound Name2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol
PubChem CID139721810
Molecular FormulaC66H101O4P
Molecular Weight989.50 g/mol
Exact Mass988.74
IUPAC Name2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol
SMILESCCC(C)(C)c1cc(-c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2OP2Oc3c(cc(C(C)(C)CC)cc3C(C)(C)CC)C(C)c3cc(C(C)(C)CC)cc(C(C)(C)CC)c3O2)c(O)c(C(C)(C)CC)c1
InChIInChI=1S/C66H101O4P/c1-26-59(10,11)43-34-47-42(9)48-35-44(60(12,13)27-2)40-53(65(22,23)32-7)57(48)69-71(68-56(47)52(39-43)64(20,21)31-6)70-58-50(37-46(62(16,17)29-4)41-54(58)66(24,25)33-8)49-36-45(61(14,15)28-3)38-51(55(49)67)63(18,19)30-5/h34-42,67H,26-33H2,1-25H3
InChIKeyPHJSIWVLJYMXON-UHFFFAOYSA-N
XLogP20.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.50
LogP ≤ 520.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol with MolForge

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Related Compounds

2-[[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]methyl]-4,6-bis(2-methylbutan-2-yl)phenol
CID 139724531
2,4-ditert-butyl-6-[[3,5-ditert-butyl-2-[(1,3,7,9-tetratert-butyl-5-methyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]methyl]phenol
CID 139724523
2-tert-butyl-6-[[3-tert-butyl-2-[(1,9-ditert-butyl-3,5,7-trimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-5-methylphenyl]methyl]-4-methylphenol
CID 139724526
1,3,7,9-tetratert-butyl-5-methyl-11-octoxy-5H-benzo[d][1,3,2]benzodioxaphosphocine
CID 22709132
2-(4-chloro-2H-benzotriazol-5-yl)-4,6-bis(2-methylbutan-2-yl)phenol
CID 150200009
2-tert-butyl-6-[3-tert-butyl-2-[(1,9-ditert-butyl-3,7-dimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]-5-methylphenyl]-4-methylphenol
CID 139724529
[2-[2-hydroxy-3,5-bis(2-methylbutan-2-yl)phenyl]phenyl]-phenylmethanone
CID 22321239
N-methyl-5,7-bis(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512291
2-methyl-1-[2-methyl-3,5-bis(2-methylbutan-2-yl)phenyl]-3,5-bis(2-methylbutan-2-yl)benzene
CID 23002700
4-methoxy-2-[3-methoxy-5-(2-methylbutan-2-yl)phenyl]-6-(2-methylbutan-2-yl)phenol
CID 18401178
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
octadecyl 3-[3,5-ditert-butyl-4-[(1,9-ditert-butyl-3,5,7-trimethyl-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl)oxy]phenyl]propanoate
CID 18358564

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol?
The IUPAC name of 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol (CID 139721810) is 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol.
What is the SMILES notation for 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol?
The canonical SMILES for 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol is CCC(C)(C)c1cc(-c2cc(C(C)(C)CC)cc(C(C)(C)CC)c2OP2Oc3c(cc(C(C)(C)CC)cc3C(C)(C)CC)C(C)c3cc(C(C)(C)CC)cc(C(C)(C)CC)c3O2)c(O)c(C(C)(C)CC)c1.
What is the InChIKey of 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol?
The InChIKey is PHJSIWVLJYMXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H101O4P/c1-26-59(10,11)43-34-47-42(9)48-35-44(60(12,13)27-2)40-53(65(22,23)32-7)57(48)69-71(68-56(47)52(39-43)64(20,21)31-6)70-58-50(37-46(62(16,17)29-4)41-54(58)66(24,25)33-8)49-36-45(61(14,15)28-3)38-51(55(49)67)63(18,19)30-5/h34-42,67H,26-33H2,1-25H3.
What are the key properties of 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol?
2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol has a molecular weight of 989.50 g/mol, XLogP of 20.79, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(2-methylbutan-2-yl)-2-[[5-methyl-1,3,7,9-tetrakis(2-methylbutan-2-yl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-yl]oxy]phenyl]-4,6-bis(2-methylbutan-2-yl)phenol is sourced from PubChem (CID 139721810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).