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

C29H20F3N3O2 — CID 176606652

IUPAC2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol
SMILESCCc1ccnc(-n2c3ccccc3c3ccc(Oc4cc(C(F)(F)F)c5cccc(O)c5n4)cc32)c1
InChIInChI=1S/C29H20F3N3O2/c1-2-17-12-13-33-26(14-17)35-23-8-4-3-6-19(23)20-11-10-18(15-24(20)35)37-27-16-22(29(30,31)32)21-7-5-9-25(36)28(21)34-27/h3-16,36H,2H2,1H3
InChIKeyHXJBLHHIDQYUPQ-UHFFFAOYSA-N
MW499.49 g/mol
LogP7.81
Rot. Bonds4

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

2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol (PubChem CID 176606652) has the molecular formula C29H20F3N3O2 and a molecular weight of 499.49 g/mol. Its IUPAC name is 2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol.

Molecular Properties

Compound Name2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol
PubChem CID176606652
Molecular FormulaC29H20F3N3O2
Molecular Weight499.49 g/mol
Exact Mass499.15
IUPAC Name2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol
SMILESCCc1ccnc(-n2c3ccccc3c3ccc(Oc4cc(C(F)(F)F)c5cccc(O)c5n4)cc32)c1
InChIInChI=1S/C29H20F3N3O2/c1-2-17-12-13-33-26(14-17)35-23-8-4-3-6-19(23)20-11-10-18(15-24(20)35)37-27-16-22(29(30,31)32)21-7-5-9-25(36)28(21)34-27/h3-16,36H,2H2,1H3
InChIKeyHXJBLHHIDQYUPQ-UHFFFAOYSA-N
XLogP7.81
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.49
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
9-(4-ethyl-2-pyridinyl)-2-[3-[(6-ethyl-2-pyridinyl)oxy]phenyl]carbazole
CID 153421163
2-[9-[4-(dimethylamino)-2-pyridinyl]carbazol-2-yl]oxy-5-methylquinolin-8-ol
CID 176606434
5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol
CID 176605735
2-[3-[4-(2,6-dimethylphenyl)-3,5-dimethylpyrazol-1-yl]-5-propan-2-ylphenoxy]-9-(4-ethyl-2-pyridinyl)carbazole
CID 153418095
5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606879
2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol
CID 176606775
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-(4-ethyl-2-pyridinyl)-6-methylcarbazole
CID 153440713
4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482
2-[3-(3,5-dimethyl-4-phenylpyrazol-1-yl)phenoxy]-9-[4-(2,2-dimethylpropyl)-2-pyridinyl]-6-ethylcarbazole
CID 153441318
4,7-dimethyl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606675

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol?
The IUPAC name of 2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol (CID 176606652) is 2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol.
What is the SMILES notation for 2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol?
The canonical SMILES for 2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol is CCc1ccnc(-n2c3ccccc3c3ccc(Oc4cc(C(F)(F)F)c5cccc(O)c5n4)cc32)c1.
What is the InChIKey of 2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol?
The InChIKey is HXJBLHHIDQYUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20F3N3O2/c1-2-17-12-13-33-26(14-17)35-23-8-4-3-6-19(23)20-11-10-18(15-24(20)35)37-27-16-22(29(30,31)32)21-7-5-9-25(36)28(21)34-27/h3-16,36H,2H2,1H3.
What are the key properties of 2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol?
2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol has a molecular weight of 499.49 g/mol, XLogP of 7.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol is sourced from PubChem (CID 176606652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).