2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol

C31H27N3O2 — CID 176606600

IUPAC2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
SMILESCc1ccc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4ccc5cccc(O)c5n4)cc32)nc1
InChIInChI=1S/C31H27N3O2/c1-19-8-14-28(32-18-19)34-25-13-10-21(31(2,3)4)16-24(25)23-12-11-22(17-26(23)34)36-29-15-9-20-6-5-7-27(35)30(20)33-29/h5-18,35H,1-4H3
InChIKeyVYUVAUVHAAWGFW-UHFFFAOYSA-N
MW473.58 g/mol
LogP7.83
Rot. Bonds3

About 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol

2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol (PubChem CID 176606600) has the molecular formula C31H27N3O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol.

Molecular Properties

Compound Name2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
PubChem CID176606600
Molecular FormulaC31H27N3O2
Molecular Weight473.58 g/mol
Exact Mass473.21
IUPAC Name2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
SMILESCc1ccc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4ccc5cccc(O)c5n4)cc32)nc1
InChIInChI=1S/C31H27N3O2/c1-19-8-14-28(32-18-19)34-25-13-10-21(31(2,3)4)16-24(25)23-12-11-22(17-26(23)34)36-29-15-9-20-6-5-7-27(35)30(20)33-29/h5-18,35H,1-4H3
InChIKeyVYUVAUVHAAWGFW-UHFFFAOYSA-N
XLogP7.83
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 57.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[7-methyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176605644
4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol
CID 176605878
2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol
CID 176605735
2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606401
2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile
CID 176606752
2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol
CID 176606279
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
2-tert-butyl-7-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenoxy]-9-(5-methyl-2-pyridinyl)carbazole
CID 155652244
4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482
2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile
CID 140906280
6-tert-butyl-9-(5-tert-butyl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421247
2-[[6-tert-butyl-9-(6-ethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176605807

Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The IUPAC name of 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol (CID 176606600) is 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol.
What is the SMILES notation for 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The canonical SMILES for 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol is Cc1ccc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4ccc5cccc(O)c5n4)cc32)nc1.
What is the InChIKey of 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The InChIKey is VYUVAUVHAAWGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3O2/c1-19-8-14-28(32-18-19)34-25-13-10-21(31(2,3)4)16-24(25)23-12-11-22(17-26(23)34)36-29-15-9-20-6-5-7-27(35)30(20)33-29/h5-18,35H,1-4H3.
What are the key properties of 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol has a molecular weight of 473.58 g/mol, XLogP of 7.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol is sourced from PubChem (CID 176606600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).