2-xanthen-1-ylideneanthracen-1-one

C27H16O2 — CID 173032368

IUPAC2-xanthen-1-ylideneanthracen-1-one
SMILESO=C1C(=c2cccc3c2=Cc2ccccc2O3)C=Cc2cc3ccccc3cc21
InChIInChI=1S/C27H16O2/c28-27-22(13-12-19-14-17-6-1-2-7-18(17)15-23(19)27)21-9-5-11-26-24(21)16-20-8-3-4-10-25(20)29-26/h1-16H
InChIKeyACVZPABHGASQMR-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.83
Rot. Bonds

About 2-xanthen-1-ylideneanthracen-1-one

2-xanthen-1-ylideneanthracen-1-one (PubChem CID 173032368) has the molecular formula C27H16O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-xanthen-1-ylideneanthracen-1-one.

Molecular Properties

Compound Name2-xanthen-1-ylideneanthracen-1-one
PubChem CID173032368
Molecular FormulaC27H16O2
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name2-xanthen-1-ylideneanthracen-1-one
SMILESO=C1C(=c2cccc3c2=Cc2ccccc2O3)C=Cc2cc3ccccc3cc21
InChIInChI=1S/C27H16O2/c28-27-22(13-12-19-14-17-6-1-2-7-18(17)15-23(19)27)21-9-5-11-26-24(21)16-20-8-3-4-10-25(20)29-26/h1-16H
InChIKeyACVZPABHGASQMR-UHFFFAOYSA-N
XLogP4.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-xanthen-1-ylideneanthracen-1-one?
The IUPAC name of 2-xanthen-1-ylideneanthracen-1-one (CID 173032368) is 2-xanthen-1-ylideneanthracen-1-one.
What is the SMILES notation for 2-xanthen-1-ylideneanthracen-1-one?
The canonical SMILES for 2-xanthen-1-ylideneanthracen-1-one is O=C1C(=c2cccc3c2=Cc2ccccc2O3)C=Cc2cc3ccccc3cc21.
What is the InChIKey of 2-xanthen-1-ylideneanthracen-1-one?
The InChIKey is ACVZPABHGASQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16O2/c28-27-22(13-12-19-14-17-6-1-2-7-18(17)15-23(19)27)21-9-5-11-26-24(21)16-20-8-3-4-10-25(20)29-26/h1-16H.
What are the key properties of 2-xanthen-1-ylideneanthracen-1-one?
2-xanthen-1-ylideneanthracen-1-one has a molecular weight of 372.42 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-xanthen-1-ylideneanthracen-1-one is sourced from PubChem (CID 173032368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).