2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene

C48H32O2P2 — CID 54768485

IUPAC2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene
SMILESO=P(C#Cc1ccc2ccccc2c1-c1c(C#CP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H32O2P2/c49-51(41-19-5-1-6-20-41,42-21-7-2-8-22-42)35-33-39-31-29-37-17-13-15-27-45(37)47(39)48-40(32-30-38-18-14-16-28-46(38)48)34-36-52(50,43-23-9-3-10-24-43)44-25-11-4-12-26-44/h1-32H
InChIKeyHGUOGAGALNDZNY-UHFFFAOYSA-N
MW702.73 g/mol
LogP10.31
Rot. Bonds5

About 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene

2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene (PubChem CID 54768485) has the molecular formula C48H32O2P2 and a molecular weight of 702.73 g/mol. Its IUPAC name is 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene
PubChem CID54768485
Molecular FormulaC48H32O2P2
Molecular Weight702.73 g/mol
Exact Mass702.19
IUPAC Name2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene
SMILESO=P(C#Cc1ccc2ccccc2c1-c1c(C#CP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1
InChIInChI=1S/C48H32O2P2/c49-51(41-19-5-1-6-20-41,42-21-7-2-8-22-42)35-33-39-31-29-37-17-13-15-27-45(37)47(39)48-40(32-30-38-18-14-16-28-46(38)48)34-36-52(50,43-23-9-3-10-24-43)44-25-11-4-12-26-44/h1-32H
InChIKeyHGUOGAGALNDZNY-UHFFFAOYSA-N
XLogP10.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.73
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene?
The IUPAC name of 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene (CID 54768485) is 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene.
What is the SMILES notation for 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene?
The canonical SMILES for 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene is O=P(C#Cc1ccc2ccccc2c1-c1c(C#CP(=O)(c2ccccc2)c2ccccc2)ccc2ccccc12)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene?
The InChIKey is HGUOGAGALNDZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32O2P2/c49-51(41-19-5-1-6-20-41,42-21-7-2-8-22-42)35-33-39-31-29-37-17-13-15-27-45(37)47(39)48-40(32-30-38-18-14-16-28-46(38)48)34-36-52(50,43-23-9-3-10-24-43)44-25-11-4-12-26-44/h1-32H.
What are the key properties of 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene?
2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene has a molecular weight of 702.73 g/mol, XLogP of 10.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphorylethynyl)-1-[2-(2-diphenylphosphorylethynyl)naphthalen-1-yl]naphthalene is sourced from PubChem (CID 54768485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).