2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one

C16H14O — CID 100914038

IUPAC2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one
SMILES[2H]c1c([2H])c(C([2H])([2H])[2H])c2c(c1C([2H])([2H])[2H])Cc1ccccc1C2=O
InChIInChI=1S/C16H14O/c1-10-7-8-11(2)15-14(10)9-12-5-3-4-6-13(12)16(15)17/h3-8H,9H2,1-2H3/i1D3,2D3,7D,8D
InChIKeyFDRVVBCMADRHMK-SKJDFIQESA-N
MW230.34 g/mol
LogP3.44
Rot. Bonds2

About 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one

2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one (PubChem CID 100914038) has the molecular formula C16H14O and a molecular weight of 230.34 g/mol. Its IUPAC name is 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one.

Molecular Properties

Compound Name2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one
PubChem CID100914038
Molecular FormulaC16H14O
Molecular Weight230.34 g/mol
Exact Mass230.15
IUPAC Name2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one
SMILES[2H]c1c([2H])c(C([2H])([2H])[2H])c2c(c1C([2H])([2H])[2H])Cc1ccccc1C2=O
InChIInChI=1S/C16H14O/c1-10-7-8-11(2)15-14(10)9-12-5-3-4-6-13(12)16(15)17/h3-8H,9H2,1-2H3/i1D3,2D3,7D,8D
InChIKeyFDRVVBCMADRHMK-SKJDFIQESA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-4-methyl-10H-anthracen-9-one
CID 163804927
1,2,3,4-tetrahydroxy-10H-anthracen-9-one
CID 91457355
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
2,3,4-trimethyl-10H-anthracen-9-one
CID 21344517
10H-anthracen-9-one;ethane;methanol
CID 90976205
10-oxo-9H-anthracene-1,2,3,4-tetracarboxylic acid
CID 19860324
2,5-dideuterio-1-hydroxy-10H-anthracen-9-one
CID 175725156
1-(9H-fluoren-1-yl)anthracene-9,10-dione
CID 141480667
10H-anthracen-9-one;fluoren-9-one
CID 67642372
(12-acetyloxy-11-oxo-4,6-dihydro-1H-tetracen-5-yl) acetate
CID 134120096
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502
10-oxo-1,4-bis(sulfanyl)-9H-anthracene-2,3-dicarbonitrile
CID 140979793

Frequently Asked Questions

What is the IUPAC name of 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one?
The IUPAC name of 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one (CID 100914038) is 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one.
What is the SMILES notation for 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one?
The canonical SMILES for 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one is [2H]c1c([2H])c(C([2H])([2H])[2H])c2c(c1C([2H])([2H])[2H])Cc1ccccc1C2=O.
What is the InChIKey of 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one?
The InChIKey is FDRVVBCMADRHMK-SKJDFIQESA-N. The full InChI is InChI=1S/C16H14O/c1-10-7-8-11(2)15-14(10)9-12-5-3-4-6-13(12)16(15)17/h3-8H,9H2,1-2H3/i1D3,2D3,7D,8D.
What are the key properties of 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one?
2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one has a molecular weight of 230.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dideuterio-1,4-bis(trideuteriomethyl)-10H-anthracen-9-one is sourced from PubChem (CID 100914038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).