tris(2,3,4,5-tetramethylphenyl) phosphite

C30H39O3P — CID 153324599

IUPACtris(2,3,4,5-tetramethylphenyl) phosphite
SMILESCc1cc(OP(Oc2cc(C)c(C)c(C)c2C)Oc2cc(C)c(C)c(C)c2C)c(C)c(C)c1C
InChIInChI=1S/C30H39O3P/c1-16-13-28(25(10)22(7)19(16)4)31-34(32-29-14-17(2)20(5)23(8)26(29)11)33-30-15-18(3)21(6)24(9)27(30)12/h13-15H,1-12H3
InChIKeyGVFVJOBRYWRPNU-UHFFFAOYSA-N
MW478.61 g/mol
LogP9.15
Rot. Bonds6

About tris(2,3,4,5-tetramethylphenyl) phosphite

tris(2,3,4,5-tetramethylphenyl) phosphite (PubChem CID 153324599) has the molecular formula C30H39O3P and a molecular weight of 478.61 g/mol. Its IUPAC name is tris(2,3,4,5-tetramethylphenyl) phosphite.

Molecular Properties

Compound Nametris(2,3,4,5-tetramethylphenyl) phosphite
PubChem CID153324599
Molecular FormulaC30H39O3P
Molecular Weight478.61 g/mol
Exact Mass478.26
IUPAC Nametris(2,3,4,5-tetramethylphenyl) phosphite
SMILESCc1cc(OP(Oc2cc(C)c(C)c(C)c2C)Oc2cc(C)c(C)c(C)c2C)c(C)c(C)c1C
InChIInChI=1S/C30H39O3P/c1-16-13-28(25(10)22(7)19(16)4)31-34(32-29-14-17(2)20(5)23(8)26(29)11)33-30-15-18(3)21(6)24(9)27(30)12/h13-15H,1-12H3
InChIKeyGVFVJOBRYWRPNU-UHFFFAOYSA-N
XLogP9.15
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(2,3,5-trimethylphenyl) phosphite
CID 627271
tris(2,3,4,5,6-pentamethylphenyl) phosphite
CID 18335179
1,2,3,4-tetramethyl-5-propoxybenzene
CID 143028127
1-(2,5-dimethylphenoxy)-2,3,4,5-tetramethylbenzene
CID 71382789
(2,3,4,5-tetramethylphenyl) 2,3,4,6-tetramethylbenzoate
CID 59629933
[2-[2-bis(2-methylphenoxy)phosphanyloxy-5,6-dimethyl-3-propan-2-ylphenyl]-3,4-dimethyl-6-propan-2-ylphenyl] bis(2-methylphenyl) phosphite
CID 59167149
tris(2-methylphenyl) phosphite dichloride
CID 23333528
formaldehyde;1,2,3,4,5-pentamethylbenzene
CID 162197138
1,2,3,4-tetramethyl-5-(2-methyl-5-propan-2-ylphenoxy)benzene
CID 71382787
[4-bis(4-hydroxy-2,5-dimethylphenoxy)phosphanyloxy-2,5-dimethylphenyl] (2,5-dimethylphenyl) (4-hydroxy-2,5-dimethylphenyl) phosphite
CID 142908247
bis([1-[2-bis(2-methylphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]-3-methylnaphthalen-2-yl] bis(2-methylphenyl) phosphite);[2-[2-bis(2-methylphenoxy)phosphanyloxy-3,4,5,6-tetramethylphenyl]-3,4,5,6-tetramethylphenyl] bis(2-methylphenyl) phosphite
CID 91340857
[4-[4-bis(5-tert-butyl-2,3-dimethylphenoxy)phosphanylphenyl]phenyl]-bis(5-tert-butyl-2,3-dimethylphenoxy)phosphane
CID 141246742

Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5-tetramethylphenyl) phosphite?
The IUPAC name of tris(2,3,4,5-tetramethylphenyl) phosphite (CID 153324599) is tris(2,3,4,5-tetramethylphenyl) phosphite.
What is the SMILES notation for tris(2,3,4,5-tetramethylphenyl) phosphite?
The canonical SMILES for tris(2,3,4,5-tetramethylphenyl) phosphite is Cc1cc(OP(Oc2cc(C)c(C)c(C)c2C)Oc2cc(C)c(C)c(C)c2C)c(C)c(C)c1C.
What is the InChIKey of tris(2,3,4,5-tetramethylphenyl) phosphite?
The InChIKey is GVFVJOBRYWRPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39O3P/c1-16-13-28(25(10)22(7)19(16)4)31-34(32-29-14-17(2)20(5)23(8)26(29)11)33-30-15-18(3)21(6)24(9)27(30)12/h13-15H,1-12H3.
What are the key properties of tris(2,3,4,5-tetramethylphenyl) phosphite?
tris(2,3,4,5-tetramethylphenyl) phosphite has a molecular weight of 478.61 g/mol, XLogP of 9.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5-tetramethylphenyl) phosphite is sourced from PubChem (CID 153324599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).