1-naphthalen-1-yl-9H-xanthene

C23H16O — CID 90993396

IUPAC1-naphthalen-1-yl-9H-xanthene
SMILESc1ccc2c(c1)Cc1c(cccc1-c1cccc3ccccc13)O2
InChIInChI=1S/C23H16O/c1-3-10-18-16(7-1)9-5-11-19(18)20-12-6-14-23-21(20)15-17-8-2-4-13-22(17)24-23/h1-14H,15H2
InChIKeyWGZSJTYINZZRIU-UHFFFAOYSA-N
MW308.38 g/mol
LogP6.20
Rot. Bonds1

About 1-naphthalen-1-yl-9H-xanthene

1-naphthalen-1-yl-9H-xanthene (PubChem CID 90993396) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-naphthalen-1-yl-9H-xanthene.

Molecular Properties

Compound Name1-naphthalen-1-yl-9H-xanthene
PubChem CID90993396
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Name1-naphthalen-1-yl-9H-xanthene
SMILESc1ccc2c(c1)Cc1c(cccc1-c1cccc3ccccc13)O2
InChIInChI=1S/C23H16O/c1-3-10-18-16(7-1)9-5-11-19(18)20-12-6-14-23-21(20)15-17-8-2-4-13-22(17)24-23/h1-14H,15H2
InChIKeyWGZSJTYINZZRIU-UHFFFAOYSA-N
XLogP6.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-9H-xanthene?
The IUPAC name of 1-naphthalen-1-yl-9H-xanthene (CID 90993396) is 1-naphthalen-1-yl-9H-xanthene.
What is the SMILES notation for 1-naphthalen-1-yl-9H-xanthene?
The canonical SMILES for 1-naphthalen-1-yl-9H-xanthene is c1ccc2c(c1)Cc1c(cccc1-c1cccc3ccccc13)O2.
What is the InChIKey of 1-naphthalen-1-yl-9H-xanthene?
The InChIKey is WGZSJTYINZZRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O/c1-3-10-18-16(7-1)9-5-11-19(18)20-12-6-14-23-21(20)15-17-8-2-4-13-22(17)24-23/h1-14H,15H2.
What are the key properties of 1-naphthalen-1-yl-9H-xanthene?
1-naphthalen-1-yl-9H-xanthene has a molecular weight of 308.38 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-9H-xanthene is sourced from PubChem (CID 90993396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).