2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol

C35H35N3O2 — CID 176606401

IUPAC2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
SMILESCc1ccnc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)c(Oc4ccc5cccc(O)c5n4)cc32)c1
InChIInChI=1S/C35H35N3O2/c1-21-15-16-36-31(17-21)38-27-13-12-23(34(2,3)4)18-24(27)25-19-26(35(5,6)7)30(20-28(25)38)40-32-14-11-22-9-8-10-29(39)33(22)37-32/h8-20,39H,1-7H3
InChIKeyJXBKCQGKFCSMQK-UHFFFAOYSA-N
MW529.68 g/mol
LogP9.13
Rot. Bonds3

About 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol

2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol (PubChem CID 176606401) has the molecular formula C35H35N3O2 and a molecular weight of 529.68 g/mol. Its IUPAC name is 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol.

Molecular Properties

Compound Name2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
PubChem CID176606401
Molecular FormulaC35H35N3O2
Molecular Weight529.68 g/mol
Exact Mass529.27
IUPAC Name2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
SMILESCc1ccnc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)c(Oc4ccc5cccc(O)c5n4)cc32)c1
InChIInChI=1S/C35H35N3O2/c1-21-15-16-36-31(17-21)38-27-13-12-23(34(2,3)4)18-24(27)25-19-26(35(5,6)7)30(20-28(25)38)40-32-14-11-22-9-8-10-29(39)33(22)37-32/h8-20,39H,1-7H3
InChIKeyJXBKCQGKFCSMQK-UHFFFAOYSA-N
XLogP9.13
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.68
LogP ≤ 59.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol with MolForge

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Related Compounds

2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606600
2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile
CID 176606752
2-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]quinolin-8-ol
CID 176606257
2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606543
2-[[6-tert-butyl-9-(6-ethyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176605807
3-methyl-2-[[6-methyl-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176605761
5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-4-propan-2-yl-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606680
2-[[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]-5-propan-2-ylquinolin-8-ol;platinum
CID 176606757
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol
CID 176606279
5-tert-butyl-2-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinoline-8-thiolate;platinum(2+)
CID 176606440
2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol
CID 176605735

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The IUPAC name of 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol (CID 176606401) is 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol.
What is the SMILES notation for 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The canonical SMILES for 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol is Cc1ccnc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)c(Oc4ccc5cccc(O)c5n4)cc32)c1.
What is the InChIKey of 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The InChIKey is JXBKCQGKFCSMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N3O2/c1-21-15-16-36-31(17-21)38-27-13-12-23(34(2,3)4)18-24(27)25-19-26(35(5,6)7)30(20-28(25)38)40-32-14-11-22-9-8-10-29(39)33(22)37-32/h8-20,39H,1-7H3.
What are the key properties of 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol has a molecular weight of 529.68 g/mol, XLogP of 9.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol is sourced from PubChem (CID 176606401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).