anthracene;9H-xanthene

C27H20O — CID 141402821

IUPACanthracene;9H-xanthene
SMILESc1ccc2c(c1)Cc1ccccc1O2.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C13H10O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-10H;1-8H,9H2
InChIKeyQMQBVAIUKTZYDE-UHFFFAOYSA-N
MW360.46 g/mol
LogP7.38
Rot. Bonds

About anthracene;9H-xanthene

anthracene;9H-xanthene (PubChem CID 141402821) has the molecular formula C27H20O and a molecular weight of 360.46 g/mol. Its IUPAC name is anthracene;9H-xanthene.

Molecular Properties

Compound Nameanthracene;9H-xanthene
PubChem CID141402821
Molecular FormulaC27H20O
Molecular Weight360.46 g/mol
Exact Mass360.15
IUPAC Nameanthracene;9H-xanthene
SMILESc1ccc2c(c1)Cc1ccccc1O2.c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C14H10.C13H10O/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-10H;1-8H,9H2
InChIKeyQMQBVAIUKTZYDE-UHFFFAOYSA-N
XLogP7.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 57.38
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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Frequently Asked Questions

What is the IUPAC name of anthracene;9H-xanthene?
The IUPAC name of anthracene;9H-xanthene (CID 141402821) is anthracene;9H-xanthene.
What is the SMILES notation for anthracene;9H-xanthene?
The canonical SMILES for anthracene;9H-xanthene is c1ccc2c(c1)Cc1ccccc1O2.c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracene;9H-xanthene?
The InChIKey is QMQBVAIUKTZYDE-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;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-10H;1-8H,9H2.
What are the key properties of anthracene;9H-xanthene?
anthracene;9H-xanthene has a molecular weight of 360.46 g/mol, XLogP of 7.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene;9H-xanthene is sourced from PubChem (CID 141402821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).