biphenylene;9H-xanthene

C25H18O — CID 69049558

IUPACbiphenylene;9H-xanthene
SMILESc1ccc2c(c1)-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O.C12H8/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H,9H2;1-8H
InChIKeyHWCBFKYCOOXLOD-UHFFFAOYSA-N
MW334.42 g/mol
LogP6.72
Rot. Bonds

About biphenylene;9H-xanthene

biphenylene;9H-xanthene (PubChem CID 69049558) has the molecular formula C25H18O and a molecular weight of 334.42 g/mol. Its IUPAC name is biphenylene;9H-xanthene.

Molecular Properties

Compound Namebiphenylene;9H-xanthene
PubChem CID69049558
Molecular FormulaC25H18O
Molecular Weight334.42 g/mol
Exact Mass334.14
IUPAC Namebiphenylene;9H-xanthene
SMILESc1ccc2c(c1)-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O.C12H8/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H,9H2;1-8H
InChIKeyHWCBFKYCOOXLOD-UHFFFAOYSA-N
XLogP6.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of biphenylene;9H-xanthene?
The IUPAC name of biphenylene;9H-xanthene (CID 69049558) is biphenylene;9H-xanthene.
What is the SMILES notation for biphenylene;9H-xanthene?
The canonical SMILES for biphenylene;9H-xanthene is c1ccc2c(c1)-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1O2.
What is the InChIKey of biphenylene;9H-xanthene?
The InChIKey is HWCBFKYCOOXLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C12H8/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-2-6-10-9(5-1)11-7-3-4-8-12(10)11/h1-8H,9H2;1-8H.
What are the key properties of biphenylene;9H-xanthene?
biphenylene;9H-xanthene has a molecular weight of 334.42 g/mol, XLogP of 6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for biphenylene;9H-xanthene is sourced from PubChem (CID 69049558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).