2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol

C57H78O2P2 — CID 134225808

IUPAC2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol
SMILESCc1cc(-c2cc(C)cc(-c3cc(C)cc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)c3O)c2P(C)CCCP(C)C)c(O)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C57H78O2P2/c1-32(2)41-28-43(34(5)6)53(44(29-41)35(7)8)51-26-38(13)22-47(55(51)58)49-24-40(15)25-50(57(49)61(18)21-19-20-60(16)17)48-23-39(14)27-52(56(48)59)54-45(36(9)10)30-42(33(3)4)31-46(54)37(11)12/h22-37,58-59H,19-21H2,1-18H3
InChIKeyYPIRAQUEKPFRFL-UHFFFAOYSA-N
MW857.20 g/mol
LogP17.30
Rot. Bonds15

About 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol

2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol (PubChem CID 134225808) has the molecular formula C57H78O2P2 and a molecular weight of 857.20 g/mol. Its IUPAC name is 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol
PubChem CID134225808
Molecular FormulaC57H78O2P2
Molecular Weight857.20 g/mol
Exact Mass856.55
IUPAC Name2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol
SMILESCc1cc(-c2cc(C)cc(-c3cc(C)cc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)c3O)c2P(C)CCCP(C)C)c(O)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1
InChIInChI=1S/C57H78O2P2/c1-32(2)41-28-43(34(5)6)53(44(29-41)35(7)8)51-26-38(13)22-47(55(51)58)49-24-40(15)25-50(57(49)61(18)21-19-20-60(16)17)48-23-39(14)27-52(56(48)59)54-45(36(9)10)30-42(33(3)4)31-46(54)37(11)12/h22-37,58-59H,19-21H2,1-18H3
InChIKeyYPIRAQUEKPFRFL-UHFFFAOYSA-N
XLogP17.30
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.20
LogP ≤ 517.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol with MolForge

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Related Compounds

2-[3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2-(3-methoxypropoxy)-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol
CID 138655114
2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol
CID 134225963
2-(3,5-dimethylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 123164700
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
4-sulfanyl-3,5-bis[2,4,6-tri(propan-2-yl)phenyl]phenol
CID 101134255
1,2,3,4-tetramethyl-5-[2,4,6-tri(propan-2-yl)phenyl]benzene
CID 91568727
4-methyl-2-pyridin-2-yl-6-[2,4,6-tri(propan-2-yl)phenyl]phenolate
CID 132850801
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
CID 139466257
2-hexan-2-yl-4,6-di(propan-2-yl)phenol
CID 154085005
2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;carbanide;2,2-dimethylpropylidene(oxo)tungsten;hydrochloride
CID 159672909
benzyl-[3-[benzyl-[2,4,6-tri(propan-2-yl)phenyl]phosphanyl]propyl]-[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 102041236
diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 118584328

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol?
The IUPAC name of 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol (CID 134225808) is 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol.
What is the SMILES notation for 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol?
The canonical SMILES for 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol is Cc1cc(-c2cc(C)cc(-c3cc(C)cc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)c3O)c2P(C)CCCP(C)C)c(O)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1.
What is the InChIKey of 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol?
The InChIKey is YPIRAQUEKPFRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H78O2P2/c1-32(2)41-28-43(34(5)6)53(44(29-41)35(7)8)51-26-38(13)22-47(55(51)58)49-24-40(15)25-50(57(49)61(18)21-19-20-60(16)17)48-23-39(14)27-52(56(48)59)54-45(36(9)10)30-42(33(3)4)31-46(54)37(11)12/h22-37,58-59H,19-21H2,1-18H3.
What are the key properties of 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol?
2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol has a molecular weight of 857.20 g/mol, XLogP of 17.30, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-dimethylphosphanylpropyl(methyl)phosphanyl]-3-[2-hydroxy-5-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-5-methylphenyl]-4-methyl-6-[2,4,6-tri(propan-2-yl)phenyl]phenol is sourced from PubChem (CID 134225808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).