2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile

C32H26N4O2 — CID 176606752

IUPAC2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile
SMILESCc1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4ccc5c(C#N)ccc(O)c5n4)cc32)c1
InChIInChI=1S/C32H26N4O2/c1-19-13-14-34-29(15-19)36-26-10-6-21(32(2,3)4)16-25(26)24-8-7-22(17-27(24)36)38-30-12-9-23-20(18-33)5-11-28(37)31(23)35-30/h5-17,37H,1-4H3
InChIKeyQAWPPAQNCIRFRD-UHFFFAOYSA-N
MW498.59 g/mol
LogP7.70
Rot. Bonds3

About 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile

2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile (PubChem CID 176606752) has the molecular formula C32H26N4O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile.

Molecular Properties

Compound Name2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile
PubChem CID176606752
Molecular FormulaC32H26N4O2
Molecular Weight498.59 g/mol
Exact Mass498.21
IUPAC Name2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile
SMILESCc1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4ccc5c(C#N)ccc(O)c5n4)cc32)c1
InChIInChI=1S/C32H26N4O2/c1-19-13-14-34-29(15-19)36-26-10-6-21(32(2,3)4)16-25(26)24-8-7-22(17-27(24)36)38-30-12-9-23-20(18-33)5-11-28(37)31(23)35-30/h5-17,37H,1-4H3
InChIKeyQAWPPAQNCIRFRD-UHFFFAOYSA-N
XLogP7.70
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.59
LogP ≤ 57.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606600
2-[3,6-ditert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606401
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-[9-[4-(dimethylamino)-2-pyridinyl]carbazol-2-yl]oxy-5-methylquinolin-8-ol
CID 176606434
6-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-1H-1,5-naphthyridin-4-one
CID 176606687
5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
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-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606879
6-methyl-2-[7-methyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176605644
2-[9-(5-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-(5-methyl-2-pyridinyl)carbazole-3-carbonitrile
CID 140906280
9-(4-tert-butyl-2-pyridinyl)-7-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]carbazole-3-carbonitrile
CID 155636196

Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile?
The IUPAC name of 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile (CID 176606752) is 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile.
What is the SMILES notation for 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile?
The canonical SMILES for 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile is Cc1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4ccc5c(C#N)ccc(O)c5n4)cc32)c1.
What is the InChIKey of 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile?
The InChIKey is QAWPPAQNCIRFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O2/c1-19-13-14-34-29(15-19)36-26-10-6-21(32(2,3)4)16-25(26)24-8-7-22(17-27(24)36)38-30-12-9-23-20(18-33)5-11-28(37)31(23)35-30/h5-17,37H,1-4H3.
What are the key properties of 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile?
2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile has a molecular weight of 498.59 g/mol, XLogP of 7.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile is sourced from PubChem (CID 176606752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).