2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone

C35H26O3 — CID 158395442

IUPAC2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone
SMILESCCc1ccc2c(c1)C(=O)c1ccccc1C2=O.O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14O.C16H12O2/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15;1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h1-14H;3-9H,2H2,1H3
InChIKeyGXMKGIKZAQWUOL-UHFFFAOYSA-N
MW494.59 g/mol
LogP7.61
Rot. Bonds4

About 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone

2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone (PubChem CID 158395442) has the molecular formula C35H26O3 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone
PubChem CID158395442
Molecular FormulaC35H26O3
Molecular Weight494.59 g/mol
Exact Mass494.19
IUPAC Name2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone
SMILESCCc1ccc2c(c1)C(=O)c1ccccc1C2=O.O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H14O.C16H12O2/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15;1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h1-14H;3-9H,2H2,1H3
InChIKeyGXMKGIKZAQWUOL-UHFFFAOYSA-N
XLogP7.61
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-ethylfluoren-9-one
CID 11344805
2,6-diethylanthracene-9,10-dione
CID 130464580
phenyl-(4-phenylphenyl)methanone
CID 155775877
2-ethylanthracene-9,10-dione;1,2,3,4,5,6,7,8-octamethylanthracene-9,10-dione
CID 69114392
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
[4-[4-(bromomethyl)phenyl]phenyl]-phenylmethanone
CID 19742105
2-propylanthracene-9,10-dione
CID 22643716
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192
[4-(methyltellurinylmethyl)phenyl]-phenylmethanone
CID 175127821
benzoyl benzenecarboperoxoate;2,3-diphenylanthracene-9,10-dione
CID 174818786
[4-(diethylamino)phenyl]-phenylmethanone;phenyl-(4-phenylphenyl)methanone
CID 175454528
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653

Frequently Asked Questions

What is the IUPAC name of 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone?
The IUPAC name of 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone (CID 158395442) is 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone.
What is the SMILES notation for 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone?
The canonical SMILES for 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone is CCc1ccc2c(c1)C(=O)c1ccccc1C2=O.O=C(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone?
The InChIKey is GXMKGIKZAQWUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O.C16H12O2/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15;1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h1-14H;3-9H,2H2,1H3.
What are the key properties of 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone?
2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone has a molecular weight of 494.59 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylanthracene-9,10-dione;phenyl-(4-phenylphenyl)methanone is sourced from PubChem (CID 158395442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).