4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol

C33H23N3O2 — CID 136660398

IUPAC4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol
SMILESOc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc(O)cc5)n4)n3)n2)cc1
InChIInChI=1S/C33H23N3O2/c37-26-16-12-23(13-17-26)28-8-4-10-30(34-28)32-20-25(22-6-2-1-3-7-22)21-33(36-32)31-11-5-9-29(35-31)24-14-18-27(38)19-15-24/h1-21,37-38H
InChIKeySKJPRFCXMIRBDK-UHFFFAOYSA-N
MW493.57 g/mol
LogP7.62
Rot. Bonds5

About 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol

4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol (PubChem CID 136660398) has the molecular formula C33H23N3O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol
PubChem CID136660398
Molecular FormulaC33H23N3O2
Molecular Weight493.57 g/mol
Exact Mass493.18
IUPAC Name4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol
SMILESOc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc(O)cc5)n4)n3)n2)cc1
InChIInChI=1S/C33H23N3O2/c37-26-16-12-23(13-17-26)28-8-4-10-30(34-28)32-20-25(22-6-2-1-3-7-22)21-33(36-32)31-11-5-9-29(35-31)24-14-18-27(38)19-15-24/h1-21,37-38H
InChIKeySKJPRFCXMIRBDK-UHFFFAOYSA-N
XLogP7.62
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 57.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol?
The IUPAC name of 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol (CID 136660398) is 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol is Oc1ccc(-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc(-c5ccc(O)cc5)n4)n3)n2)cc1.
What is the InChIKey of 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol?
The InChIKey is SKJPRFCXMIRBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O2/c37-26-16-12-23(13-17-26)28-8-4-10-30(34-28)32-20-25(22-6-2-1-3-7-22)21-33(36-32)31-11-5-9-29(35-31)24-14-18-27(38)19-15-24/h1-21,37-38H.
What are the key properties of 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol?
4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol has a molecular weight of 493.57 g/mol, XLogP of 7.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[6-(4-hydroxyphenyl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]phenol is sourced from PubChem (CID 136660398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).