3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol

C24H15F3N2O2 — CID 175377323

IUPAC3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol
SMILESOc1cc(C(F)(F)F)c(O)c(-c2ccc3[nH]ncc3c2)c1-c1cccc2ccccc12
InChIInChI=1S/C24H15F3N2O2/c25-24(26,27)18-11-20(30)22(17-7-3-5-13-4-1-2-6-16(13)17)21(23(18)31)14-8-9-19-15(10-14)12-28-29-19/h1-12,30-31H,(H,28,29)
InChIKeyLRKBXDWMPDILKW-UHFFFAOYSA-N
MW420.39 g/mol
LogP6.48
Rot. Bonds2

About 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol

3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol (PubChem CID 175377323) has the molecular formula C24H15F3N2O2 and a molecular weight of 420.39 g/mol. Its IUPAC name is 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol.

Molecular Properties

Compound Name3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol
PubChem CID175377323
Molecular FormulaC24H15F3N2O2
Molecular Weight420.39 g/mol
Exact Mass420.11
IUPAC Name3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol
SMILESOc1cc(C(F)(F)F)c(O)c(-c2ccc3[nH]ncc3c2)c1-c1cccc2ccccc12
InChIInChI=1S/C24H15F3N2O2/c25-24(26,27)18-11-20(30)22(17-7-3-5-13-4-1-2-6-16(13)17)21(23(18)31)14-8-9-19-15(10-14)12-28-29-19/h1-12,30-31H,(H,28,29)
InChIKeyLRKBXDWMPDILKW-UHFFFAOYSA-N
XLogP6.48
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol?
The IUPAC name of 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol (CID 175377323) is 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol.
What is the SMILES notation for 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol?
The canonical SMILES for 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol is Oc1cc(C(F)(F)F)c(O)c(-c2ccc3[nH]ncc3c2)c1-c1cccc2ccccc12.
What is the InChIKey of 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol?
The InChIKey is LRKBXDWMPDILKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N2O2/c25-24(26,27)18-11-20(30)22(17-7-3-5-13-4-1-2-6-16(13)17)21(23(18)31)14-8-9-19-15(10-14)12-28-29-19/h1-12,30-31H,(H,28,29).
What are the key properties of 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol?
3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol has a molecular weight of 420.39 g/mol, XLogP of 6.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazol-5-yl)-2-naphthalen-1-yl-5-(trifluoromethyl)benzene-1,4-diol is sourced from PubChem (CID 175377323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).