dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone

C33H31O2P — CID 90234060

IUPACdinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone
SMILESCCc1ccc(C(=O)P(=O)(c2cccc3ccccc23)c2cccc3ccccc23)c(CC)c1CC
InChIInChI=1S/C33H31O2P/c1-4-23-21-22-30(27(6-3)26(23)5-2)33(34)36(35,31-19-11-15-24-13-7-9-17-28(24)31)32-20-12-16-25-14-8-10-18-29(25)32/h7-22H,4-6H2,1-3H3
InChIKeyQZZKGVIWEPWHIY-UHFFFAOYSA-N
MW490.58 g/mol
LogP7.83
Rot. Bonds7

About dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone

dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone (PubChem CID 90234060) has the molecular formula C33H31O2P and a molecular weight of 490.58 g/mol. Its IUPAC name is dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone.

Molecular Properties

Compound Namedinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone
PubChem CID90234060
Molecular FormulaC33H31O2P
Molecular Weight490.58 g/mol
Exact Mass490.21
IUPAC Namedinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone
SMILESCCc1ccc(C(=O)P(=O)(c2cccc3ccccc23)c2cccc3ccccc23)c(CC)c1CC
InChIInChI=1S/C33H31O2P/c1-4-23-21-22-30(27(6-3)26(23)5-2)33(34)36(35,31-19-11-15-24-13-7-9-17-28(24)31)32-20-12-16-25-14-8-10-18-29(25)32/h7-22H,4-6H2,1-3H3
InChIKeyQZZKGVIWEPWHIY-UHFFFAOYSA-N
XLogP7.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 57.83
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

azane;1-phenyl-2-(2,3,4-triethylphenyl)ethane-1,2-dione;hydrobromide
CID 174431283
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
naphthalen-1-ylphosphonic acid;dihydrochloride
CID 175207516
1-diphenylphosphorylnaphthalene
CID 11023927
aziridine;1,2-diethylnaphthalene
CID 88846211
1-diphenylphosphorylnaphthalene;terbium
CID 161386720
diethoxyphosphoryl(naphthalen-1-yl)methanone
CID 23002000
2-N,3-N-bis(dinaphthalen-1-ylphosphoryl)butane-2,3-diimine
CID 139920617
azane;1-ethylnaphthalene
CID 19048185
lithium dinaphthalen-1-ylphosphinate
CID 141248266
1,2-diethylanthracene
CID 19372429
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone?
The IUPAC name of dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone (CID 90234060) is dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone.
What is the SMILES notation for dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone?
The canonical SMILES for dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone is CCc1ccc(C(=O)P(=O)(c2cccc3ccccc23)c2cccc3ccccc23)c(CC)c1CC.
What is the InChIKey of dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone?
The InChIKey is QZZKGVIWEPWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31O2P/c1-4-23-21-22-30(27(6-3)26(23)5-2)33(34)36(35,31-19-11-15-24-13-7-9-17-28(24)31)32-20-12-16-25-14-8-10-18-29(25)32/h7-22H,4-6H2,1-3H3.
What are the key properties of dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone?
dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone has a molecular weight of 490.58 g/mol, XLogP of 7.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylphosphoryl-(2,3,4-triethylphenyl)methanone is sourced from PubChem (CID 90234060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).