2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane

C36H27O3P — CID 121381055

IUPAC2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESc1ccc(C2(c3ccccc3)OP(Oc3ccc4ccccc4c3)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H27O3P/c1-5-17-30(18-6-1)35(31-19-7-2-8-20-31)36(32-21-9-3-10-22-32,33-23-11-4-12-24-33)39-40(38-35)37-34-26-25-28-15-13-14-16-29(28)27-34/h1-27H
InChIKeyBNIUXKNFGHEUEU-UHFFFAOYSA-N
MW538.58 g/mol
LogP9.38
Rot. Bonds6

About 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane

2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane (PubChem CID 121381055) has the molecular formula C36H27O3P and a molecular weight of 538.58 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
PubChem CID121381055
Molecular FormulaC36H27O3P
Molecular Weight538.58 g/mol
Exact Mass538.17
IUPAC Name2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESc1ccc(C2(c3ccccc3)OP(Oc3ccc4ccccc4c3)OC2(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H27O3P/c1-5-17-30(18-6-1)35(31-19-7-2-8-20-31)36(32-21-9-3-10-22-32,33-23-11-4-12-24-33)39-40(38-35)37-34-26-25-28-15-13-14-16-29(28)27-34/h1-27H
InChIKeyBNIUXKNFGHEUEU-UHFFFAOYSA-N
XLogP9.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.58
LogP ≤ 59.38
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 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The IUPAC name of 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane (CID 121381055) is 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The canonical SMILES for 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane is c1ccc(C2(c3ccccc3)OP(Oc3ccc4ccccc4c3)OC2(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The InChIKey is BNIUXKNFGHEUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27O3P/c1-5-17-30(18-6-1)35(31-19-7-2-8-20-31)36(32-21-9-3-10-22-32,33-23-11-4-12-24-33)39-40(38-35)37-34-26-25-28-15-13-14-16-29(28)27-34/h1-27H.
What are the key properties of 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane has a molecular weight of 538.58 g/mol, XLogP of 9.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane is sourced from PubChem (CID 121381055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).