2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol

C31H24F3N3O2 — CID 176606393

IUPAC2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(C(F)(F)F)ccc(O)c5n4)cc32)c1
InChIInChI=1S/C31H24F3N3O2/c1-30(2,3)18-14-15-35-27(16-18)37-24-7-5-4-6-20(24)21-9-8-19(17-25(21)37)39-28-13-10-22-23(31(32,33)34)11-12-26(38)29(22)36-28/h4-17,38H,1-3H3
InChIKeyYKALXYFZGDMCGR-UHFFFAOYSA-N
MW527.55 g/mol
LogP8.54
Rot. Bonds3

About 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol

2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol (PubChem CID 176606393) has the molecular formula C31H24F3N3O2 and a molecular weight of 527.55 g/mol. Its IUPAC name is 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol.

Molecular Properties

Compound Name2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol
PubChem CID176606393
Molecular FormulaC31H24F3N3O2
Molecular Weight527.55 g/mol
Exact Mass527.18
IUPAC Name2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol
SMILESCC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(C(F)(F)F)ccc(O)c5n4)cc32)c1
InChIInChI=1S/C31H24F3N3O2/c1-30(2,3)18-14-15-35-27(16-18)37-24-7-5-4-6-20(24)21-9-8-19(17-25(21)37)39-28-13-10-22-23(31(32,33)34)11-12-26(38)29(22)36-28/h4-17,38H,1-3H3
InChIKeyYKALXYFZGDMCGR-UHFFFAOYSA-N
XLogP8.54
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.55
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol?
The IUPAC name of 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol (CID 176606393) is 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol.
What is the SMILES notation for 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol?
The canonical SMILES for 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol is CC(C)(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5c(C(F)(F)F)ccc(O)c5n4)cc32)c1.
What is the InChIKey of 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol?
The InChIKey is YKALXYFZGDMCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24F3N3O2/c1-30(2,3)18-14-15-35-27(16-18)37-24-7-5-4-6-20(24)21-9-8-19(17-25(21)37)39-28-13-10-22-23(31(32,33)34)11-12-26(38)29(22)36-28/h4-17,38H,1-3H3.
What are the key properties of 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol?
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol has a molecular weight of 527.55 g/mol, XLogP of 8.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-(trifluoromethyl)quinolin-8-ol is sourced from PubChem (CID 176606393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).