2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol

C31H21N5O — CID 137299724

IUPAC2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(-c2cccc(-c3cc(-c4cccnc4)nc(-c4cccnc4)n3)c2)n1
InChIInChI=1S/C31H21N5O/c37-30-14-2-1-11-25(30)27-13-4-12-26(34-27)21-7-3-8-22(17-21)28-18-29(23-9-5-15-32-19-23)36-31(35-28)24-10-6-16-33-20-24/h1-20,37H
InChIKeyKYXKRXVQKDWPBZ-UHFFFAOYSA-N
MW479.54 g/mol
LogP6.70
Rot. Bonds5

About 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol

2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol (PubChem CID 137299724) has the molecular formula C31H21N5O and a molecular weight of 479.54 g/mol. Its IUPAC name is 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol
PubChem CID137299724
Molecular FormulaC31H21N5O
Molecular Weight479.54 g/mol
Exact Mass479.17
IUPAC Name2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cccc(-c2cccc(-c3cc(-c4cccnc4)nc(-c4cccnc4)n3)c2)n1
InChIInChI=1S/C31H21N5O/c37-30-14-2-1-11-25(30)27-13-4-12-26(34-27)21-7-3-8-22(17-21)28-18-29(23-9-5-15-32-19-23)36-31(35-28)24-10-6-16-33-20-24/h1-20,37H
InChIKeyKYXKRXVQKDWPBZ-UHFFFAOYSA-N
XLogP6.70
TPSA84.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol (CID 137299724) is 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol is Oc1ccccc1-c1cccc(-c2cccc(-c3cc(-c4cccnc4)nc(-c4cccnc4)n3)c2)n1.
What is the InChIKey of 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol?
The InChIKey is KYXKRXVQKDWPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N5O/c37-30-14-2-1-11-25(30)27-13-4-12-26(34-27)21-7-3-8-22(17-21)28-18-29(23-9-5-15-32-19-23)36-31(35-28)24-10-6-16-33-20-24/h1-20,37H.
What are the key properties of 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol?
2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol has a molecular weight of 479.54 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2,6-dipyridin-3-ylpyrimidin-4-yl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 137299724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).