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

C42H27NO2 — CID 155281449

IUPAC2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc12
InChIInChI=1S/C42H27NO2/c44-42-36-21-11-12-22-40(36)45-41-24-23-30(25-37(41)42)32-17-7-8-18-33(32)34-19-9-10-20-35(34)39-27-31(28-13-3-1-4-14-28)26-38(43-39)29-15-5-2-6-16-29/h1-27H
InChIKeyAPVVLTTXEHMBIZ-UHFFFAOYSA-N
MW577.68 g/mol
LogP10.68
Rot. Bonds5

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

2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one (PubChem CID 155281449) has the molecular formula C42H27NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one.

Molecular Properties

Compound Name2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one
PubChem CID155281449
Molecular FormulaC42H27NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC Name2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc12
InChIInChI=1S/C42H27NO2/c44-42-36-21-11-12-22-40(36)45-41-24-23-30(25-37(41)42)32-17-7-8-18-33(32)34-19-9-10-20-35(34)39-27-31(28-13-3-1-4-14-28)26-38(43-39)29-15-5-2-6-16-29/h1-27H
InChIKeyAPVVLTTXEHMBIZ-UHFFFAOYSA-N
XLogP10.68
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 510.68
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-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one?
The IUPAC name of 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one (CID 155281449) is 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one.
What is the SMILES notation for 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one?
The canonical SMILES for 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one is O=c1c2ccccc2oc2ccc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)cc12.
What is the InChIKey of 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one?
The InChIKey is APVVLTTXEHMBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO2/c44-42-36-21-11-12-22-40(36)45-41-24-23-30(25-37(41)42)32-17-7-8-18-33(32)34-19-9-10-20-35(34)39-27-31(28-13-3-1-4-14-28)26-38(43-39)29-15-5-2-6-16-29/h1-27H.
What are the key properties of 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one?
2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one has a molecular weight of 577.68 g/mol, XLogP of 10.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]xanthen-9-one is sourced from PubChem (CID 155281449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).