1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene

C52H36O2P2 — CID 88865123

IUPAC1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
SMILESO=P(c1cccc(-c2cccc(P(=O)(c3cccc4ccccc34)c3cccc4ccccc34)c2)c1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C52H36O2P2/c53-55(49-31-11-19-37-15-1-5-27-45(37)49,50-32-12-20-38-16-2-6-28-46(38)50)43-25-9-23-41(35-43)42-24-10-26-44(36-42)56(54,51-33-13-21-39-17-3-7-29-47(39)51)52-34-14-22-40-18-4-8-30-48(40)52/h1-36H
InChIKeyUWXOTDBRLVZEGV-UHFFFAOYSA-N
MW754.81 g/mol
LogP11.25
Rot. Bonds7

About 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene

1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene (PubChem CID 88865123) has the molecular formula C52H36O2P2 and a molecular weight of 754.81 g/mol. Its IUPAC name is 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene.

Molecular Properties

Compound Name1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
PubChem CID88865123
Molecular FormulaC52H36O2P2
Molecular Weight754.81 g/mol
Exact Mass754.22
IUPAC Name1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
SMILESO=P(c1cccc(-c2cccc(P(=O)(c3cccc4ccccc34)c3cccc4ccccc34)c2)c1)(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C52H36O2P2/c53-55(49-31-11-19-37-15-1-5-27-45(37)49,50-32-12-20-38-16-2-6-28-46(38)50)43-25-9-23-41(35-43)42-24-10-26-44(36-42)56(54,51-33-13-21-39-17-3-7-29-47(39)51)52-34-14-22-40-18-4-8-30-48(40)52/h1-36H
InChIKeyUWXOTDBRLVZEGV-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

1-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
1-[[4-[4-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 58982863
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901903
1-diphenylphosphoryl-3-(3-diphenylphosphorylphenyl)benzene
CID 88865103
2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(4-dinaphthalen-1-ylphosphorylphenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 159396238
1-[[4-(iodomethyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene
CID 153323496
1,5-bis(diphenylphosphoryl)anthracene
CID 88535905
1-[[3-methoxy-2-[2-methoxy-6-[naphthalen-1-yl(phenyl)phosphoryl]phenyl]phenyl]-phenylphosphoryl]naphthalene
CID 46939365
9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
1-[(3,5-difluorophenyl)-phenanthren-1-ylphosphoryl]phenanthrene
CID 137366974
4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411227

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene?
The IUPAC name of 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene (CID 88865123) is 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene.
What is the SMILES notation for 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene?
The canonical SMILES for 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene is O=P(c1cccc(-c2cccc(P(=O)(c3cccc4ccccc34)c3cccc4ccccc34)c2)c1)(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene?
The InChIKey is UWXOTDBRLVZEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36O2P2/c53-55(49-31-11-19-37-15-1-5-27-45(37)49,50-32-12-20-38-16-2-6-28-46(38)50)43-25-9-23-41(35-43)42-24-10-26-44(36-42)56(54,51-33-13-21-39-17-3-7-29-47(39)51)52-34-14-22-40-18-4-8-30-48(40)52/h1-36H.
What are the key properties of 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene?
1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-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 1-[[3-(3-dinaphthalen-1-ylphosphorylphenyl)phenyl]-naphthalen-1-ylphosphoryl]naphthalene is sourced from PubChem (CID 88865123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).