10H-anthracen-10-ylium-9-ylidenemethanone

C15H9O+ — CID 100955933

IUPAC10H-anthracen-10-ylium-9-ylidenemethanone
SMILESO=C=C1c2ccccc2[CH+]c2ccccc21
InChIInChI=1S/C15H9O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H/q+1
InChIKeyITJGSOBYCTVKMR-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.86
Rot. Bonds

About 10H-anthracen-10-ylium-9-ylidenemethanone

10H-anthracen-10-ylium-9-ylidenemethanone (PubChem CID 100955933) has the molecular formula C15H9O+ and a molecular weight of 205.24 g/mol. Its IUPAC name is 10H-anthracen-10-ylium-9-ylidenemethanone.

Molecular Properties

Compound Name10H-anthracen-10-ylium-9-ylidenemethanone
PubChem CID100955933
Molecular FormulaC15H9O+
Molecular Weight205.24 g/mol
Exact Mass205.06
IUPAC Name10H-anthracen-10-ylium-9-ylidenemethanone
SMILESO=C=C1c2ccccc2[CH+]c2ccccc21
InChIInChI=1S/C15H9O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H/q+1
InChIKeyITJGSOBYCTVKMR-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

9-oxo-10H-anthracen-10-ylium-1-olate
CID 102189544
[1-bromo-3-(oxomethylidene)-1H-inden-2-ylidene]methanone
CID 141144433
9-(2-fluoren-9-ylideneethenylidene)fluorene
CID 13353203
1,2-dihydroindazol-3-ylidenemethanone
CID 87550381
[2,3,4-tris(oxomethylidene)cyclobutylidene]methanone;tetrahydrate
CID 175101712
biphenylene;hydron
CID 173077542
1,2,3,4-tetrahydroanthracene-9,10-dione
CID 174898123
1-isocyanato-2-(2-isocyanatophenyl)benzene
CID 15935085
carbon dioxide;9H-fluorene;methane
CID 158285860
2-(iminomethylidene)indene-1,3-dione
CID 135431394
9-ethenylidenefluorene
CID 11074207
anthracene-9,10-dione;hydrofluoride
CID 172728823

Frequently Asked Questions

What is the IUPAC name of 10H-anthracen-10-ylium-9-ylidenemethanone?
The IUPAC name of 10H-anthracen-10-ylium-9-ylidenemethanone (CID 100955933) is 10H-anthracen-10-ylium-9-ylidenemethanone.
What is the SMILES notation for 10H-anthracen-10-ylium-9-ylidenemethanone?
The canonical SMILES for 10H-anthracen-10-ylium-9-ylidenemethanone is O=C=C1c2ccccc2[CH+]c2ccccc21.
What is the InChIKey of 10H-anthracen-10-ylium-9-ylidenemethanone?
The InChIKey is ITJGSOBYCTVKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9O/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H/q+1.
What are the key properties of 10H-anthracen-10-ylium-9-ylidenemethanone?
10H-anthracen-10-ylium-9-ylidenemethanone has a molecular weight of 205.24 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-anthracen-10-ylium-9-ylidenemethanone is sourced from PubChem (CID 100955933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).