4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol

C37H31N3O2 — CID 176606482

IUPAC4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
SMILESCc1cc(O)c2nc(Oc3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cn5)c4c3)cc(C(C)(C)C)c2c1
InChIInChI=1S/C37H31N3O2/c1-23-18-29-30(37(2,3)4)21-35(39-36(29)33(41)19-23)42-26-15-16-28-27-12-8-9-13-31(27)40(32(28)20-26)34-17-14-25(22-38-34)24-10-6-5-7-11-24/h5-22,41H,1-4H3
InChIKeyIQNHQQBABAGIBP-UHFFFAOYSA-N
MW549.67 g/mol
LogP9.50
Rot. Bonds4

About 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol

4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol (PubChem CID 176606482) has the molecular formula C37H31N3O2 and a molecular weight of 549.67 g/mol. Its IUPAC name is 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol.

Molecular Properties

Compound Name4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
PubChem CID176606482
Molecular FormulaC37H31N3O2
Molecular Weight549.67 g/mol
Exact Mass549.24
IUPAC Name4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
SMILESCc1cc(O)c2nc(Oc3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cn5)c4c3)cc(C(C)(C)C)c2c1
InChIInChI=1S/C37H31N3O2/c1-23-18-29-30(37(2,3)4)21-35(39-36(29)33(41)19-23)42-26-15-16-28-27-12-8-9-13-31(27)40(32(28)20-26)34-17-14-25(22-38-34)24-10-6-5-7-11-24/h5-22,41H,1-4H3
InChIKeyIQNHQQBABAGIBP-UHFFFAOYSA-N
XLogP9.50
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 59.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol with MolForge

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Related Compounds

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
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)-5-phenylcarbazol-2-yl]oxy-4-propan-2-ylquinolin-8-ol
CID 176606765
4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
CID 176606881
4-methyl-2-[9-(5-methyl-2-pyridinyl)-6-propan-2-ylcarbazol-2-yl]oxyquinolin-8-ol
CID 176605878
2-[6-tert-butyl-9-(5-methyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606600
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]oxy-4,5-dimethylquinolin-8-ol
CID 176606407
4,7-dimethyl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606675
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
9-(5-phenyl-2-pyridinyl)furo[3,2-b]carbazole
CID 123532687

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The IUPAC name of 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol (CID 176606482) is 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol.
What is the SMILES notation for 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The canonical SMILES for 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol is Cc1cc(O)c2nc(Oc3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cn5)c4c3)cc(C(C)(C)C)c2c1.
What is the InChIKey of 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
The InChIKey is IQNHQQBABAGIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3O2/c1-23-18-29-30(37(2,3)4)21-35(39-36(29)33(41)19-23)42-26-15-16-28-27-12-8-9-13-31(27)40(32(28)20-26)34-17-14-25(22-38-34)24-10-6-5-7-11-24/h5-22,41H,1-4H3.
What are the key properties of 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol?
4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol has a molecular weight of 549.67 g/mol, XLogP of 9.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol is sourced from PubChem (CID 176606482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).