[1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane

C44H32O2P2 — CID 11114975

IUPAC[1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane
SMILESc1ccc(P(Oc2ccc3ccccc3c2-c2c(OP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C44H32O2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeyJZJPYBVTTOSAOG-UHFFFAOYSA-N
MW654.69 g/mol
LogP10.51
Rot. Bonds9

About [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane

[1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane (PubChem CID 11114975) has the molecular formula C44H32O2P2 and a molecular weight of 654.69 g/mol. Its IUPAC name is [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane
PubChem CID11114975
Molecular FormulaC44H32O2P2
Molecular Weight654.69 g/mol
Exact Mass654.19
IUPAC Name[1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane
SMILESc1ccc(P(Oc2ccc3ccccc3c2-c2c(OP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C44H32O2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H
InChIKeyJZJPYBVTTOSAOG-UHFFFAOYSA-N
XLogP10.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.69
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane?
The IUPAC name of [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane (CID 11114975) is [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane.
What is the SMILES notation for [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane?
The canonical SMILES for [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane is c1ccc(P(Oc2ccc3ccccc3c2-c2c(OP(c3ccccc3)c3ccccc3)ccc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane?
The InChIKey is JZJPYBVTTOSAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O2P2/c1-5-19-35(20-6-1)47(36-21-7-2-8-22-36)45-41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46-48(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-32H.
What are the key properties of [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane?
[1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane has a molecular weight of 654.69 g/mol, XLogP of 10.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphanyloxynaphthalen-1-yl)naphthalen-2-yl]oxy-diphenylphosphane is sourced from PubChem (CID 11114975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).