1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol

C32H18F6N2O2 — CID 137223589

IUPAC1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol
SMILESOc1c(-c2ccnc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2ccnc(C(F)(F)F)c2)cc2ccccc12
InChIInChI=1S/C32H18F6N2O2/c33-31(34,35)25-15-19(9-11-39-25)23-13-17-5-1-3-7-21(17)27(29(23)41)28-22-8-4-2-6-18(22)14-24(30(28)42)20-10-12-40-26(16-20)32(36,37)38/h1-16,41-42H
InChIKeyDRGURLKZEQSOOA-UHFFFAOYSA-N
MW576.50 g/mol
LogP9.23
Rot. Bonds3

About 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol

1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol (PubChem CID 137223589) has the molecular formula C32H18F6N2O2 and a molecular weight of 576.50 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol
PubChem CID137223589
Molecular FormulaC32H18F6N2O2
Molecular Weight576.50 g/mol
Exact Mass576.13
IUPAC Name1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol
SMILESOc1c(-c2ccnc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2ccnc(C(F)(F)F)c2)cc2ccccc12
InChIInChI=1S/C32H18F6N2O2/c33-31(34,35)25-15-19(9-11-39-25)23-13-17-5-1-3-7-21(17)27(29(23)41)28-22-8-4-2-6-18(22)14-24(30(28)42)20-10-12-40-26(16-20)32(36,37)38/h1-16,41-42H
InChIKeyDRGURLKZEQSOOA-UHFFFAOYSA-N
XLogP9.23
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.50
LogP ≤ 59.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol?
The IUPAC name of 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol (CID 137223589) is 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol?
The canonical SMILES for 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol is Oc1c(-c2ccnc(C(F)(F)F)c2)cc2ccccc2c1-c1c(O)c(-c2ccnc(C(F)(F)F)c2)cc2ccccc12.
What is the InChIKey of 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol?
The InChIKey is DRGURLKZEQSOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H18F6N2O2/c33-31(34,35)25-15-19(9-11-39-25)23-13-17-5-1-3-7-21(17)27(29(23)41)28-22-8-4-2-6-18(22)14-24(30(28)42)20-10-12-40-26(16-20)32(36,37)38/h1-16,41-42H.
What are the key properties of 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol?
1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol has a molecular weight of 576.50 g/mol, XLogP of 9.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-1-yl]-3-[2-(trifluoromethyl)-4-pyridinyl]naphthalen-2-ol is sourced from PubChem (CID 137223589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).