2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene

C52H36O2P2 — CID 58982866

IUPAC2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
SMILESO=P(c1ccc(-c2ccc(P(=O)(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C52H36O2P2/c53-55(49-29-21-37-9-1-5-13-43(37)33-49,50-30-22-38-10-2-6-14-44(38)34-50)47-25-17-41(18-26-47)42-19-27-48(28-20-42)56(54,51-31-23-39-11-3-7-15-45(39)35-51)52-32-24-40-12-4-8-16-46(40)36-52/h1-36H
InChIKeyJREDXRZGDPVTSE-UHFFFAOYSA-N
MW754.81 g/mol
LogP11.25
Rot. Bonds7

About 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene

2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene (PubChem CID 58982866) has the molecular formula C52H36O2P2 and a molecular weight of 754.81 g/mol. Its IUPAC name is 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene.

Molecular Properties

Compound Name2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
PubChem CID58982866
Molecular FormulaC52H36O2P2
Molecular Weight754.81 g/mol
Exact Mass754.22
IUPAC Name2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
SMILESO=P(c1ccc(-c2ccc(P(=O)(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C52H36O2P2/c53-55(49-29-21-37-9-1-5-13-43(37)33-49,50-30-22-38-10-2-6-14-44(38)34-50)47-25-17-41(18-26-47)42-19-27-48(28-20-42)56(54,51-31-23-39-11-3-7-15-45(39)35-51)52-32-24-40-12-4-8-16-46(40)36-52/h1-36H
InChIKeyJREDXRZGDPVTSE-UHFFFAOYSA-N
XLogP11.25
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.81
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982890
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[a]anthracene
CID 118672810
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]quinoxaline
CID 118672860
2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4-diphenylphosphorylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159382370
2-(4-diphenylphosphorylphenyl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 134470905
naphthalen-2-yl(phenyl)phosphinic acid
CID 102162733
3-diphenylphosphorylphenanthrene
CID 170944174
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
3-diphenylphosphorylhexahelicene
CID 10896698
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene
CID 122593125
11-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 164782340

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene?
The IUPAC name of 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene (CID 58982866) is 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene.
What is the SMILES notation for 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene?
The canonical SMILES for 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene is O=P(c1ccc(-c2ccc(P(=O)(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene?
The InChIKey is JREDXRZGDPVTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36O2P2/c53-55(49-29-21-37-9-1-5-13-43(37)33-49,50-30-22-38-10-2-6-14-44(38)34-50)47-25-17-41(18-26-47)42-19-27-48(28-20-42)56(54,51-31-23-39-11-3-7-15-45(39)35-51)52-32-24-40-12-4-8-16-46(40)36-52/h1-36H.
What are the key properties of 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene?
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene has a molecular weight of 754.81 g/mol, XLogP of 11.25, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene is sourced from PubChem (CID 58982866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).