tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane

C81H66O9P4 — CID 138488514

IUPACtris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane
SMILESc1ccc(C2(c3ccccc3)OP(OCP(COP3OC(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)O3)COP3OC(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)O3)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C81H66O9P4/c1-13-37-64(38-14-1)76(65-39-15-2-16-40-65)77(66-41-17-3-18-42-66,67-43-19-4-20-44-67)86-92(85-76)82-61-91(62-83-93-87-78(68-45-21-5-22-46-68,69-47-23-6-24-48-69)79(88-93,70-49-25-7-26-50-70)71-51-27-8-28-52-71)63-84-94-89-80(72-53-29-9-30-54-72,73-55-31-10-32-56-73)81(90-94,74-57-33-11-34-58-74)75-59-35-12-36-60-75/h1-60H,61-63H2
InChIKeyPZHZHSWGJKGULY-UHFFFAOYSA-N
MW1307.31 g/mol
LogP20.87
Rot. Bonds21

About tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane

tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane (PubChem CID 138488514) has the molecular formula C81H66O9P4 and a molecular weight of 1307.31 g/mol. Its IUPAC name is tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane.

Molecular Properties

Compound Nametris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane
PubChem CID138488514
Molecular FormulaC81H66O9P4
Molecular Weight1307.31 g/mol
Exact Mass1306.37
IUPAC Nametris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane
SMILESc1ccc(C2(c3ccccc3)OP(OCP(COP3OC(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)O3)COP3OC(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)O3)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C81H66O9P4/c1-13-37-64(38-14-1)76(65-39-15-2-16-40-65)77(66-41-17-3-18-42-66,67-43-19-4-20-44-67)86-92(85-76)82-61-91(62-83-93-87-78(68-45-21-5-22-46-68,69-47-23-6-24-48-69)79(88-93,70-49-25-7-26-50-70)71-51-27-8-28-52-71)63-84-94-89-80(72-53-29-9-30-54-72,73-55-31-10-32-56-73)81(90-94,74-57-33-11-34-58-74)75-59-35-12-36-60-75/h1-60H,61-63H2
InChIKeyPZHZHSWGJKGULY-UHFFFAOYSA-N
XLogP20.87
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001307.31
LogP ≤ 520.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane?
The IUPAC name of tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane (CID 138488514) is tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane.
What is the SMILES notation for tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane?
The canonical SMILES for tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane is c1ccc(C2(c3ccccc3)OP(OCP(COP3OC(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)O3)COP3OC(c4ccccc4)(c4ccccc4)C(c4ccccc4)(c4ccccc4)O3)OC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane?
The InChIKey is PZHZHSWGJKGULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H66O9P4/c1-13-37-64(38-14-1)76(65-39-15-2-16-40-65)77(66-41-17-3-18-42-66,67-43-19-4-20-44-67)86-92(85-76)82-61-91(62-83-93-87-78(68-45-21-5-22-46-68,69-47-23-6-24-48-69)79(88-93,70-49-25-7-26-50-70)71-51-27-8-28-52-71)63-84-94-89-80(72-53-29-9-30-54-72,73-55-31-10-32-56-73)81(90-94,74-57-33-11-34-58-74)75-59-35-12-36-60-75/h1-60H,61-63H2.
What are the key properties of tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane?
tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane has a molecular weight of 1307.31 g/mol, XLogP of 20.87, 21 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxymethyl]phosphane is sourced from PubChem (CID 138488514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).