2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol

C32H29N3O2 — CID 176606114

IUPAC2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol
SMILESCc1ccc2c(C)cc(Oc3ccc4c5c(C(C)(C)C)cccc5n(-c5ccccn5)c4c3)nc2c1O
InChIInChI=1S/C32H29N3O2/c1-19-12-14-22-20(2)17-28(34-30(22)31(19)36)37-21-13-15-23-26(18-21)35(27-11-6-7-16-33-27)25-10-8-9-24(29(23)25)32(3,4)5/h6-18,36H,1-5H3
InChIKeyKTCVUNFAWKETHF-UHFFFAOYSA-N
MW487.60 g/mol
LogP8.14
Rot. Bonds3

About 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol

2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol (PubChem CID 176606114) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol.

Molecular Properties

Compound Name2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol
PubChem CID176606114
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol
SMILESCc1ccc2c(C)cc(Oc3ccc4c5c(C(C)(C)C)cccc5n(-c5ccccn5)c4c3)nc2c1O
InChIInChI=1S/C32H29N3O2/c1-19-12-14-22-20(2)17-28(34-30(22)31(19)36)37-21-13-15-23-26(18-21)35(27-11-6-7-16-33-27)25-10-8-9-24(29(23)25)32(3,4)5/h6-18,36H,1-5H3
InChIKeyKTCVUNFAWKETHF-UHFFFAOYSA-N
XLogP8.14
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 58.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol with MolForge

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Launch Full Analysis

Related Compounds

2-(8-tert-butyl-5-methyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4-methyl-7-propan-2-ylquinolin-8-ol
CID 176606245
4,7-dimethyl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606675
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
5,7-dimethyl-2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]quinolin-8-ol;platinum
CID 176605982
4-tert-butyl-7-methyl-2-[(8-propan-2-yl-9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]quinolin-8-ol;platinum
CID 176606075
12-tert-butyl-4-(9-pyridin-2-ylcarbazol-2-yl)oxy-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 154610968
5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
5-tert-butyl-2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155652553
2-(6-tert-butyl-9-pyrazin-2-ylcarbazol-2-yl)oxy-4,6-dimethylquinolin-8-ol
CID 176606279
2-[9-[4-(dimethylamino)-2-pyridinyl]carbazol-2-yl]oxy-5-methylquinolin-8-ol
CID 176606434

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol?
The IUPAC name of 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol (CID 176606114) is 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol.
What is the SMILES notation for 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol?
The canonical SMILES for 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol is Cc1ccc2c(C)cc(Oc3ccc4c5c(C(C)(C)C)cccc5n(-c5ccccn5)c4c3)nc2c1O.
What is the InChIKey of 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol?
The InChIKey is KTCVUNFAWKETHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-19-12-14-22-20(2)17-28(34-30(22)31(19)36)37-21-13-15-23-26(18-21)35(27-11-6-7-16-33-27)25-10-8-9-24(29(23)25)32(3,4)5/h6-18,36H,1-5H3.
What are the key properties of 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol?
2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol has a molecular weight of 487.60 g/mol, XLogP of 8.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol is sourced from PubChem (CID 176606114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).