2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one

C36H23NO2 — CID 155281510

IUPAC2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc12
InChIInChI=1S/C36H23NO2/c38-36-30-17-9-10-18-34(30)39-35-20-19-26(21-31(35)36)28-15-7-8-16-29(28)33-23-27(24-11-3-1-4-12-24)22-32(37-33)25-13-5-2-6-14-25/h1-23H
InChIKeyABLURFLHVCTEKK-UHFFFAOYSA-N
MW501.59 g/mol
LogP9.01
Rot. Bonds4

About 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one

2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one (PubChem CID 155281510) has the molecular formula C36H23NO2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one.

Molecular Properties

Compound Name2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one
PubChem CID155281510
Molecular FormulaC36H23NO2
Molecular Weight501.59 g/mol
Exact Mass501.17
IUPAC Name2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc12
InChIInChI=1S/C36H23NO2/c38-36-30-17-9-10-18-34(30)39-35-20-19-26(21-31(35)36)28-15-7-8-16-29(28)33-23-27(24-11-3-1-4-12-24)22-32(37-33)25-13-5-2-6-14-25/h1-23H
InChIKeyABLURFLHVCTEKK-UHFFFAOYSA-N
XLogP9.01
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one?
The IUPAC name of 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one (CID 155281510) is 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one.
What is the SMILES notation for 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one?
The canonical SMILES for 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one is O=c1c2ccccc2oc2ccc(-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc12.
What is the InChIKey of 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one?
The InChIKey is ABLURFLHVCTEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23NO2/c38-36-30-17-9-10-18-34(30)39-35-20-19-26(21-31(35)36)28-15-7-8-16-29(28)33-23-27(24-11-3-1-4-12-24)22-32(37-33)25-13-5-2-6-14-25/h1-23H.
What are the key properties of 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one?
2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one has a molecular weight of 501.59 g/mol, XLogP of 9.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]xanthen-9-one is sourced from PubChem (CID 155281510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).