9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol

C38H26O5 — CID 101053867

IUPAC9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol
SMILESOC1(c2ccccc2Oc2ccccc2C2(O)c3ccccc3Oc3ccccc32)c2ccccc2Oc2ccccc21
InChIInChI=1S/C38H26O5/c39-37(25-13-1-7-19-31(25)41-32-20-8-2-14-26(32)37)29-17-5-11-23-35(29)43-36-24-12-6-18-30(36)38(40)27-15-3-9-21-33(27)42-34-22-10-4-16-28(34)38/h1-24,39-40H
InChIKeyBKMJPBBJJUEMIA-UHFFFAOYSA-N
MW562.62 g/mol
LogP8.26
Rot. Bonds4

About 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol

9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol (PubChem CID 101053867) has the molecular formula C38H26O5 and a molecular weight of 562.62 g/mol. Its IUPAC name is 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol.

Molecular Properties

Compound Name9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol
PubChem CID101053867
Molecular FormulaC38H26O5
Molecular Weight562.62 g/mol
Exact Mass562.18
IUPAC Name9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol
SMILESOC1(c2ccccc2Oc2ccccc2C2(O)c3ccccc3Oc3ccccc32)c2ccccc2Oc2ccccc21
InChIInChI=1S/C38H26O5/c39-37(25-13-1-7-19-31(25)41-32-20-8-2-14-26(32)37)29-17-5-11-23-35(29)43-36-24-12-6-18-30(36)38(40)27-15-3-9-21-33(27)42-34-22-10-4-16-28(34)38/h1-24,39-40H
InChIKeyBKMJPBBJJUEMIA-UHFFFAOYSA-N
XLogP8.26
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.62
LogP ≤ 58.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol?
The IUPAC name of 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol (CID 101053867) is 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol.
What is the SMILES notation for 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol?
The canonical SMILES for 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol is OC1(c2ccccc2Oc2ccccc2C2(O)c3ccccc3Oc3ccccc32)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol?
The InChIKey is BKMJPBBJJUEMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O5/c39-37(25-13-1-7-19-31(25)41-32-20-8-2-14-26(32)37)29-17-5-11-23-35(29)43-36-24-12-6-18-30(36)38(40)27-15-3-9-21-33(27)42-34-22-10-4-16-28(34)38/h1-24,39-40H.
What are the key properties of 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol?
9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol has a molecular weight of 562.62 g/mol, XLogP of 8.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[2-(9-hydroxyxanthen-9-yl)phenoxy]phenyl]xanthen-9-ol is sourced from PubChem (CID 101053867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).