[2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite

C55H66O6P2 — CID 139383128

IUPAC[2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite
SMILESCc1ccc(OP(OCc2c(C(C)C)cc(C)c(C)c2-c2c(C)c(C)cc(C(C)C)c2OP(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C55H66O6P2/c1-32(2)46-29-38(9)44(15)53(48(46)31-56-62(57-49-21-17-34(5)25-40(49)11)58-50-22-18-35(6)26-41(50)12)54-45(16)39(10)30-47(33(3)4)55(54)61-63(59-51-23-19-36(7)27-42(51)13)60-52-24-20-37(8)28-43(52)14/h17-30,32-33H,31H2,1-16H3
InChIKeyUXHMHNXDPQNEMP-UHFFFAOYSA-N
MW885.07 g/mol
LogP16.97
Rot. Bonds16

About [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite

[2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite (PubChem CID 139383128) has the molecular formula C55H66O6P2 and a molecular weight of 885.07 g/mol. Its IUPAC name is [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite.

Molecular Properties

Compound Name[2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite
PubChem CID139383128
Molecular FormulaC55H66O6P2
Molecular Weight885.07 g/mol
Exact Mass884.43
IUPAC Name[2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite
SMILESCc1ccc(OP(OCc2c(C(C)C)cc(C)c(C)c2-c2c(C)c(C)cc(C(C)C)c2OP(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C55H66O6P2/c1-32(2)46-29-38(9)44(15)53(48(46)31-56-62(57-49-21-17-34(5)25-40(49)11)58-50-22-18-35(6)26-41(50)12)54-45(16)39(10)30-47(33(3)4)55(54)61-63(59-51-23-19-36(7)27-42(51)13)60-52-24-20-37(8)28-43(52)14/h17-30,32-33H,31H2,1-16H3
InChIKeyUXHMHNXDPQNEMP-UHFFFAOYSA-N
XLogP16.97
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.07
LogP ≤ 516.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-methyl-2-(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-5-methylsulfanylphenyl]methyl bis(5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850589
[2-[bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxymethyl]phenyl] (5-ethyl-2-propan-2-ylphenyl) (5-methyl-2-propan-2-ylphenyl) phosphite
CID 142850621
N-[1,2-bis(2,4-dimethylphenoxy)ethyl]-2-[2-[2-(2,4-dimethylanilino)-1-(2,4-dimethylphenoxy)ethoxy]-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylaniline
CID 123862254
[2-[2-bis[2-(1,3-dioxan-2-yl)phenoxy]phosphanyloxy-3,5,6-trimethylphenyl]-3,4,6-trimethylphenyl] bis[2-(1,3-dioxan-2-yl)phenyl] phosphite;[2-[3,5-dimethyl-2-[(5-methyl-2-propan-2-ylphenoxy)-phenylphosphanyl]oxyphenyl]-4,6-dimethylphenoxy]-(5-methyl-2-propan-2-ylphenoxy)-phenylphosphane
CID 158570640
tris(2,3,5-trimethylphenyl) phosphite
CID 627271
dichloro-(2,4-dimethylphenoxy)phosphane;dichloro(ethoxy)phosphane;dichloro-(2-ethylphenoxy)phosphane;dichloro-(2-methylphenoxy)phosphane;dichloro-(5-methyl-2-propan-2-ylphenoxy)phosphane;dichloro(phenoxy)phosphane
CID 158217992
tris(4-ethyl-2-propan-2-ylphenyl) phosphite
CID 139909258
bis(2,4-dimethylphenoxy)-(2,4-dimethylphenyl)phosphane
CID 23352982
1-(2,4-dimethylphenoxy)-3-[[3-(2,4-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol
CID 16637006
1-[(2R)-1-methoxypropan-2-yl]oxy-2,4-dimethylbenzene
CID 70331927
4-(2,4-dimethylphenyl)-3,5-di(propan-2-yl)phenol
CID 70463233
tris(2,3,4,5-tetramethylphenyl) phosphite
CID 153324599

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite?
The IUPAC name of [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite (CID 139383128) is [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite.
What is the SMILES notation for [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite?
The canonical SMILES for [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite is Cc1ccc(OP(OCc2c(C(C)C)cc(C)c(C)c2-c2c(C)c(C)cc(C(C)C)c2OP(Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)Oc2ccc(C)cc2C)c(C)c1.
What is the InChIKey of [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite?
The InChIKey is UXHMHNXDPQNEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H66O6P2/c1-32(2)46-29-38(9)44(15)53(48(46)31-56-62(57-49-21-17-34(5)25-40(49)11)58-50-22-18-35(6)26-41(50)12)54-45(16)39(10)30-47(33(3)4)55(54)61-63(59-51-23-19-36(7)27-42(51)13)60-52-24-20-37(8)28-43(52)14/h17-30,32-33H,31H2,1-16H3.
What are the key properties of [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite?
[2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite has a molecular weight of 885.07 g/mol, XLogP of 16.97, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl]methyl bis(2,4-dimethylphenyl) phosphite is sourced from PubChem (CID 139383128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).