tris(2,3,4,5,6-pentamethylphenyl) phosphite

C33H45O3P — CID 18335179

IUPACtris(2,3,4,5,6-pentamethylphenyl) phosphite
SMILESCc1c(C)c(C)c(OP(Oc2c(C)c(C)c(C)c(C)c2C)Oc2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C33H45O3P/c1-16-19(4)25(10)31(26(11)20(16)5)34-37(35-32-27(12)21(6)17(2)22(7)28(32)13)36-33-29(14)23(8)18(3)24(9)30(33)15/h1-15H3
InChIKeyFOCPSCNCXNBFSH-UHFFFAOYSA-N
MW520.69 g/mol
LogP10.08
Rot. Bonds6

About tris(2,3,4,5,6-pentamethylphenyl) phosphite

tris(2,3,4,5,6-pentamethylphenyl) phosphite (PubChem CID 18335179) has the molecular formula C33H45O3P and a molecular weight of 520.69 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentamethylphenyl) phosphite.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentamethylphenyl) phosphite
PubChem CID18335179
Molecular FormulaC33H45O3P
Molecular Weight520.69 g/mol
Exact Mass520.31
IUPAC Nametris(2,3,4,5,6-pentamethylphenyl) phosphite
SMILESCc1c(C)c(C)c(OP(Oc2c(C)c(C)c(C)c(C)c2C)Oc2c(C)c(C)c(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C33H45O3P/c1-16-19(4)25(10)31(26(11)20(16)5)34-37(35-32-27(12)21(6)17(2)22(7)28(32)13)36-33-29(14)23(8)18(3)24(9)30(33)15/h1-15H3
InChIKeyFOCPSCNCXNBFSH-UHFFFAOYSA-N
XLogP10.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.69
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentamethylphenyl) phosphite?
The IUPAC name of tris(2,3,4,5,6-pentamethylphenyl) phosphite (CID 18335179) is tris(2,3,4,5,6-pentamethylphenyl) phosphite.
What is the SMILES notation for tris(2,3,4,5,6-pentamethylphenyl) phosphite?
The canonical SMILES for tris(2,3,4,5,6-pentamethylphenyl) phosphite is Cc1c(C)c(C)c(OP(Oc2c(C)c(C)c(C)c(C)c2C)Oc2c(C)c(C)c(C)c(C)c2C)c(C)c1C.
What is the InChIKey of tris(2,3,4,5,6-pentamethylphenyl) phosphite?
The InChIKey is FOCPSCNCXNBFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H45O3P/c1-16-19(4)25(10)31(26(11)20(16)5)34-37(35-32-27(12)21(6)17(2)22(7)28(32)13)36-33-29(14)23(8)18(3)24(9)30(33)15/h1-15H3.
What are the key properties of tris(2,3,4,5,6-pentamethylphenyl) phosphite?
tris(2,3,4,5,6-pentamethylphenyl) phosphite has a molecular weight of 520.69 g/mol, XLogP of 10.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentamethylphenyl) phosphite is sourced from PubChem (CID 18335179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).