2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one

C41H26N2O2 — CID 149482909

IUPAC2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccccc3-c3ccccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc12
InChIInChI=1S/C41H26N2O2/c44-40-34-21-11-12-22-38(34)45-39-24-23-29(25-35(39)40)30-17-7-8-18-31(30)32-19-9-10-20-33(32)41-42-36(27-13-3-1-4-14-27)26-37(43-41)28-15-5-2-6-16-28/h1-26H
InChIKeyZDPOAMQQVGECKY-UHFFFAOYSA-N
MW578.67 g/mol
LogP10.07
Rot. Bonds5

About 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one

2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one (PubChem CID 149482909) has the molecular formula C41H26N2O2 and a molecular weight of 578.67 g/mol. Its IUPAC name is 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one.

Molecular Properties

Compound Name2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one
PubChem CID149482909
Molecular FormulaC41H26N2O2
Molecular Weight578.67 g/mol
Exact Mass578.20
IUPAC Name2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(-c3ccccc3-c3ccccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc12
InChIInChI=1S/C41H26N2O2/c44-40-34-21-11-12-22-38(34)45-39-24-23-29(25-35(39)40)30-17-7-8-18-31(30)32-19-9-10-20-33(32)41-42-36(27-13-3-1-4-14-27)26-37(43-41)28-15-5-2-6-16-28/h1-26H
InChIKeyZDPOAMQQVGECKY-UHFFFAOYSA-N
XLogP10.07
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]xanthen-9-one
CID 155281538
2-[2-[3-(4-dibenzofuran-1-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 174268136
3-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-one
CID 155281558
2-[2,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 123288806
4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262345
2-(4-naphtho[2,3-b][1]benzofuran-2-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 174246012
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 130262665
2-[8-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138672004
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-[3-dibenzofuran-2-yl-5-(2-phenanthren-3-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583028
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one?
The IUPAC name of 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one (CID 149482909) is 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one.
What is the SMILES notation for 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one?
The canonical SMILES for 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one is O=c1c2ccccc2oc2ccc(-c3ccccc3-c3ccccc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc12.
What is the InChIKey of 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one?
The InChIKey is ZDPOAMQQVGECKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2O2/c44-40-34-21-11-12-22-38(34)45-39-24-23-29(25-35(39)40)30-17-7-8-18-31(30)32-19-9-10-20-33(32)41-42-36(27-13-3-1-4-14-27)26-37(43-41)28-15-5-2-6-16-28/h1-26H.
What are the key properties of 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one?
2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one has a molecular weight of 578.67 g/mol, XLogP of 10.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]xanthen-9-one is sourced from PubChem (CID 149482909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).