2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol

C27H17F2NO — CID 135544070

IUPAC2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(F)c(F)c2)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C27H17F2NO/c28-23-12-11-19(14-24(23)29)21-15-25(20-10-9-17-5-1-2-6-18(17)13-20)30-26(16-21)22-7-3-4-8-27(22)31/h1-16,31H
InChIKeyGGXXTCNSXYOKGR-UHFFFAOYSA-N
MW409.44 g/mol
LogP7.22
Rot. Bonds3

About 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol

2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol (PubChem CID 135544070) has the molecular formula C27H17F2NO and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol
PubChem CID135544070
Molecular FormulaC27H17F2NO
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC Name2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccc(F)c(F)c2)cc(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C27H17F2NO/c28-23-12-11-19(14-24(23)29)21-15-25(20-10-9-17-5-1-2-6-18(17)13-20)30-26(16-21)22-7-3-4-8-27(22)31/h1-16,31H
InChIKeyGGXXTCNSXYOKGR-UHFFFAOYSA-N
XLogP7.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol (CID 135544070) is 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol is Oc1ccccc1-c1cc(-c2ccc(F)c(F)c2)cc(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol?
The InChIKey is GGXXTCNSXYOKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F2NO/c28-23-12-11-19(14-24(23)29)21-15-25(20-10-9-17-5-1-2-6-18(17)13-20)30-26(16-21)22-7-3-4-8-27(22)31/h1-16,31H.
What are the key properties of 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol?
2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol has a molecular weight of 409.44 g/mol, XLogP of 7.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-6-naphthalen-2-yl-2-pyridinyl]phenol is sourced from PubChem (CID 135544070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).