1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione

C30H18O4 — CID 10939145

IUPAC1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
SMILESO=C(C(=O)c1ccc2ccccc2c1)c1ccc(C(=O)C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H18O4/c31-27(29(33)25-15-9-19-5-1-3-7-23(19)17-25)21-11-13-22(14-12-21)28(32)30(34)26-16-10-20-6-2-4-8-24(20)18-26/h1-18H
InChIKeyMHLSEXBNDICKDC-UHFFFAOYSA-N
MW442.47 g/mol
LogP6.12
Rot. Bonds6

About 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione

1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione (PubChem CID 10939145) has the molecular formula C30H18O4 and a molecular weight of 442.47 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
PubChem CID10939145
Molecular FormulaC30H18O4
Molecular Weight442.47 g/mol
Exact Mass442.12
IUPAC Name1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
SMILESO=C(C(=O)c1ccc2ccccc2c1)c1ccc(C(=O)C(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C30H18O4/c31-27(29(33)25-15-9-19-5-1-3-7-23(19)17-25)21-11-13-22(14-12-21)28(32)30(34)26-16-10-20-6-2-4-8-24(20)18-26/h1-18H
InChIKeyMHLSEXBNDICKDC-UHFFFAOYSA-N
XLogP6.12
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.47
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-2-yl-2-oxoacetyl chloride
CID 19347531
dinaphthalen-2-ylmethanone
CID 10945915
naphthalene-2-carboxylic acid
CID 175967775
methyl 2-naphthalen-2-yl-2-oxoacetate
CID 3726008
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
potassium naphthalene-2-carboxylate
CID 23664129
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
1-naphthalen-2-yl-2-pyrrolidin-1-ylethane-1,2-dione
CID 122383489

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione?
The IUPAC name of 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione (CID 10939145) is 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione.
What is the SMILES notation for 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione?
The canonical SMILES for 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione is O=C(C(=O)c1ccc2ccccc2c1)c1ccc(C(=O)C(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione?
The InChIKey is MHLSEXBNDICKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18O4/c31-27(29(33)25-15-9-19-5-1-3-7-23(19)17-25)21-11-13-22(14-12-21)28(32)30(34)26-16-10-20-6-2-4-8-24(20)18-26/h1-18H.
What are the key properties of 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione?
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione has a molecular weight of 442.47 g/mol, XLogP of 6.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione is sourced from PubChem (CID 10939145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).