anthracene;diphenylmethanone

C27H20O — CID 87408663

IUPACanthracene;diphenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C13H10O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-10H
InChIKeyLJJNOQFKTSHUSN-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.91
Rot. Bonds2

About anthracene;diphenylmethanone

anthracene;diphenylmethanone (PubChem CID 87408663) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is anthracene;diphenylmethanone.

Molecular Properties

Compound Nameanthracene;diphenylmethanone
PubChem CID87408663
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Nameanthracene;diphenylmethanone
SMILESO=C(c1ccccc1)c1ccccc1.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C13H10O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-10H
InChIKeyLJJNOQFKTSHUSN-UHFFFAOYSA-N
XLogP6.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
diphenylmethanone
CID 3102
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
diphenylmethanone;gold
CID 174931146
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;ethane
CID 158014879
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
anthracene;carbamic acid
CID 175829051
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865

Frequently Asked Questions

What is the IUPAC name of anthracene;diphenylmethanone?
The IUPAC name of anthracene;diphenylmethanone (CID 87408663) is anthracene;diphenylmethanone.
What is the SMILES notation for anthracene;diphenylmethanone?
The canonical SMILES for anthracene;diphenylmethanone is O=C(c1ccccc1)c1ccccc1.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;diphenylmethanone?
The InChIKey is LJJNOQFKTSHUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10.C13H10O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2*1-10H.
What are the key properties of anthracene;diphenylmethanone?
anthracene;diphenylmethanone has a molecular weight of 360.46 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;diphenylmethanone is sourced from PubChem (CID 87408663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).