9-(4-phenylphenyl)-9H-xanthene-2,7-diol

C25H18O3 — CID 118604834

IUPAC9-(4-phenylphenyl)-9H-xanthene-2,7-diol
SMILESOc1ccc2c(c1)C(c1ccc(-c3ccccc3)cc1)c1cc(O)ccc1O2
InChIInChI=1S/C25H18O3/c26-19-10-12-23-21(14-19)25(22-15-20(27)11-13-24(22)28-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15,25-27H
InChIKeyYNOOUYYCECRQJK-UHFFFAOYSA-N
MW366.42 g/mol
LogP6.05
Rot. Bonds2

About 9-(4-phenylphenyl)-9H-xanthene-2,7-diol

9-(4-phenylphenyl)-9H-xanthene-2,7-diol (PubChem CID 118604834) has the molecular formula C25H18O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 9-(4-phenylphenyl)-9H-xanthene-2,7-diol.

Molecular Properties

Compound Name9-(4-phenylphenyl)-9H-xanthene-2,7-diol
PubChem CID118604834
Molecular FormulaC25H18O3
Molecular Weight366.42 g/mol
Exact Mass366.13
IUPAC Name9-(4-phenylphenyl)-9H-xanthene-2,7-diol
SMILESOc1ccc2c(c1)C(c1ccc(-c3ccccc3)cc1)c1cc(O)ccc1O2
InChIInChI=1S/C25H18O3/c26-19-10-12-23-21(14-19)25(22-15-20(27)11-13-24(22)28-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15,25-27H
InChIKeyYNOOUYYCECRQJK-UHFFFAOYSA-N
XLogP6.05
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(4-phenylphenyl)-9H-xanthene-2,7-diol?
The IUPAC name of 9-(4-phenylphenyl)-9H-xanthene-2,7-diol (CID 118604834) is 9-(4-phenylphenyl)-9H-xanthene-2,7-diol.
What is the SMILES notation for 9-(4-phenylphenyl)-9H-xanthene-2,7-diol?
The canonical SMILES for 9-(4-phenylphenyl)-9H-xanthene-2,7-diol is Oc1ccc2c(c1)C(c1ccc(-c3ccccc3)cc1)c1cc(O)ccc1O2.
What is the InChIKey of 9-(4-phenylphenyl)-9H-xanthene-2,7-diol?
The InChIKey is YNOOUYYCECRQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18O3/c26-19-10-12-23-21(14-19)25(22-15-20(27)11-13-24(22)28-23)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-15,25-27H.
What are the key properties of 9-(4-phenylphenyl)-9H-xanthene-2,7-diol?
9-(4-phenylphenyl)-9H-xanthene-2,7-diol has a molecular weight of 366.42 g/mol, XLogP of 6.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-phenylphenyl)-9H-xanthene-2,7-diol is sourced from PubChem (CID 118604834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).