2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol

C33H23N3O — CID 137299719

IUPAC2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cn1
InChIInChI=1S/C33H23N3O/c37-32-17-8-7-16-28(32)29-19-18-27(22-34-29)25-14-9-15-26(20-25)33-35-30(23-10-3-1-4-11-23)21-31(36-33)24-12-5-2-6-13-24/h1-22,37H
InChIKeyKVCCYBDVPHHUMJ-UHFFFAOYSA-N
MW477.57 g/mol
LogP7.91
Rot. Bonds5

About 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol

2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol (PubChem CID 137299719) has the molecular formula C33H23N3O and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol
PubChem CID137299719
Molecular FormulaC33H23N3O
Molecular Weight477.57 g/mol
Exact Mass477.18
IUPAC Name2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cn1
InChIInChI=1S/C33H23N3O/c37-32-17-8-7-16-28(32)29-19-18-27(22-34-29)25-14-9-15-26(20-25)33-35-30(23-10-3-1-4-11-23)21-31(36-33)24-12-5-2-6-13-24/h1-22,37H
InChIKeyKVCCYBDVPHHUMJ-UHFFFAOYSA-N
XLogP7.91
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.57
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol (CID 137299719) is 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol is Oc1ccccc1-c1ccc(-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2)cn1.
What is the InChIKey of 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol?
The InChIKey is KVCCYBDVPHHUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O/c37-32-17-8-7-16-28(32)29-19-18-27(22-34-29)25-14-9-15-26(20-25)33-35-30(23-10-3-1-4-11-23)21-31(36-33)24-12-5-2-6-13-24/h1-22,37H.
What are the key properties of 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol?
2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol has a molecular weight of 477.57 g/mol, XLogP of 7.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 137299719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).