5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol

C30H25N3O2 — CID 176606050

IUPAC5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
SMILESCC(C)(C)c1ccc(O)c2nc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)ccc12
InChIInChI=1S/C30H25N3O2/c1-30(2,3)23-14-15-26(34)29-22(23)13-16-28(32-29)35-19-11-12-21-20-8-4-5-9-24(20)33(25(21)18-19)27-10-6-7-17-31-27/h4-18,34H,1-3H3
InChIKeyMCCBORXYPABENR-UHFFFAOYSA-N
MW459.55 g/mol
LogP7.52
Rot. Bonds3

About 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol

5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol (PubChem CID 176606050) has the molecular formula C30H25N3O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol.

Molecular Properties

Compound Name5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
PubChem CID176606050
Molecular FormulaC30H25N3O2
Molecular Weight459.55 g/mol
Exact Mass459.19
IUPAC Name5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
SMILESCC(C)(C)c1ccc(O)c2nc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)ccc12
InChIInChI=1S/C30H25N3O2/c1-30(2,3)23-14-15-26(34)29-22(23)13-16-28(32-29)35-19-11-12-21-20-8-4-5-9-24(20)33(25(21)18-19)27-10-6-7-17-31-27/h4-18,34H,1-3H3
InChIKeyMCCBORXYPABENR-UHFFFAOYSA-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 ≤ 500459.55
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
2-[9-[4-(dimethylamino)-2-pyridinyl]carbazol-2-yl]oxy-5-methylquinolin-8-ol
CID 176606434
5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606879
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
platinum;2-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-5-(trifluoromethyl)quinolin-8-ol
CID 176606884
2-(5-tert-butyl-9-pyridin-2-ylcarbazol-2-yl)oxy-4,7-dimethylquinolin-8-ol
CID 176606114
2-[9-(4-ethyl-2-pyridinyl)carbazol-2-yl]oxy-4-(trifluoromethyl)quinolin-8-ol
CID 176606652
4-methyl-9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,3,8,15-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140949948
4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482
9-(9-pyridin-2-ylcarbazol-2-yl)oxy-2,8,15-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 140949626
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
2-[6-tert-butyl-9-(4-methyl-2-pyridinyl)carbazol-2-yl]oxy-8-hydroxyquinoline-5-carbonitrile
CID 176606752

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol?
The IUPAC name of 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol (CID 176606050) is 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol.
What is the SMILES notation for 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol?
The canonical SMILES for 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol is CC(C)(C)c1ccc(O)c2nc(Oc3ccc4c5ccccc5n(-c5ccccn5)c4c3)ccc12.
What is the InChIKey of 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol?
The InChIKey is MCCBORXYPABENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2/c1-30(2,3)23-14-15-26(34)29-22(23)13-16-28(32-29)35-19-11-12-21-20-8-4-5-9-24(20)33(25(21)18-19)27-10-6-7-17-31-27/h4-18,34H,1-3H3.
What are the key properties of 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol?
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol has a molecular weight of 459.55 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 5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol is sourced from PubChem (CID 176606050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).