2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol

C30H25N3O2 — CID 176606543

IUPAC2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
SMILES[2H]c1cnc(-n2c3ccccc3c3c(C(C)(C)C)cc(Oc4ccc5cccc(O)c5n4)cc32)c([2H])c1
InChIInChI=1S/C30H25N3O2/c1-30(2,3)22-17-20(35-27-15-14-19-9-8-12-25(34)29(19)32-27)18-24-28(22)21-10-4-5-11-23(21)33(24)26-13-6-7-16-31-26/h4-18,34H,1-3H3/i7D,13D
InChIKeyJOUIIZQCCKBERS-AUEYOAFKSA-N
MW461.56 g/mol
LogP7.52
Rot. Bonds3

About 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol

2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol (PubChem CID 176606543) has the molecular formula C30H25N3O2 and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol.

Molecular Properties

Compound Name2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
PubChem CID176606543
Molecular FormulaC30H25N3O2
Molecular Weight461.56 g/mol
Exact Mass461.21
IUPAC Name2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
SMILES[2H]c1cnc(-n2c3ccccc3c3c(C(C)(C)C)cc(Oc4ccc5cccc(O)c5n4)cc32)c([2H])c1
InChIInChI=1S/C30H25N3O2/c1-30(2,3)22-17-20(35-27-15-14-19-9-8-12-25(34)29(19)32-27)18-24-28(22)21-10-4-5-11-23(21)33(24)26-13-6-7-16-31-26/h4-18,34H,1-3H3/i7D,13D
InChIKeyJOUIIZQCCKBERS-AUEYOAFKSA-N
XLogP7.52
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606401
2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606600
2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol
CID 176605735
9-(3,5-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421777
2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol
CID 176606114
5-deuterio-2-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606095
5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol
CID 176606652
2-[9-[4-(dimethylamino)-2-pyridinyl]carbazol-2-yl]oxy-5-methylquinolin-8-ol
CID 176606434
2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
CID 176606135
2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol
CID 176606775

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The IUPAC name of 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol (CID 176606543) is 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol.
What is the SMILES notation for 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The canonical SMILES for 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol is [2H]c1cnc(-n2c3ccccc3c3c(C(C)(C)C)cc(Oc4ccc5cccc(O)c5n4)cc32)c([2H])c1.
What is the InChIKey of 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The InChIKey is JOUIIZQCCKBERS-AUEYOAFKSA-N. The full InChI is InChI=1S/C30H25N3O2/c1-30(2,3)22-17-20(35-27-15-14-19-9-8-12-25(34)29(19)32-27)18-24-28(22)21-10-4-5-11-23(21)33(24)26-13-6-7-16-31-26/h4-18,34H,1-3H3/i7D,13D.
What are the key properties of 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol has a molecular weight of 461.56 g/mol, XLogP of 7.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol is sourced from PubChem (CID 176606543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).