4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol

C33H22FNO — CID 135528940

IUPAC4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C33H22FNO/c34-29-16-17-33(36)30(21-29)32-20-28(25-12-10-24(11-13-25)22-6-2-1-3-7-22)19-31(35-32)27-15-14-23-8-4-5-9-26(23)18-27/h1-21,36H
InChIKeyNTGSECYUQADGSA-UHFFFAOYSA-N
MW467.54 g/mol
LogP8.75
Rot. Bonds4

About 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol

4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol (PubChem CID 135528940) has the molecular formula C33H22FNO and a molecular weight of 467.54 g/mol. Its IUPAC name is 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol
PubChem CID135528940
Molecular FormulaC33H22FNO
Molecular Weight467.54 g/mol
Exact Mass467.17
IUPAC Name4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(F)cc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C33H22FNO/c34-29-16-17-33(36)30(21-29)32-20-28(25-12-10-24(11-13-25)22-6-2-1-3-7-22)19-31(35-32)27-15-14-23-8-4-5-9-26(23)18-27/h1-21,36H
InChIKeyNTGSECYUQADGSA-UHFFFAOYSA-N
XLogP8.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 58.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol?
The IUPAC name of 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol (CID 135528940) is 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol is Oc1ccc(F)cc1-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol?
The InChIKey is NTGSECYUQADGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22FNO/c34-29-16-17-33(36)30(21-29)32-20-28(25-12-10-24(11-13-25)22-6-2-1-3-7-22)19-31(35-32)27-15-14-23-8-4-5-9-26(23)18-27/h1-21,36H.
What are the key properties of 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol?
4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol has a molecular weight of 467.54 g/mol, XLogP of 8.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[6-naphthalen-2-yl-4-(4-phenylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 135528940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).