4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol

C31H27N3OS — CID 176606881

IUPAC4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
SMILESCc1cc(O)c2nc(Sc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(C(C)(C)C)c2c1
InChIInChI=1S/C31H27N3OS/c1-19-15-23-24(31(2,3)4)18-29(33-30(23)27(35)16-19)36-20-12-13-22-21-9-5-6-10-25(21)34(26(22)17-20)28-11-7-8-14-32-28/h5-18,35H,1-4H3
InChIKeyQTBRWWVCRPBNJR-UHFFFAOYSA-N
MW489.64 g/mol
LogP8.19
Rot. Bonds3

About 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol

4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol (PubChem CID 176606881) has the molecular formula C31H27N3OS and a molecular weight of 489.64 g/mol. Its IUPAC name is 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol.

Molecular Properties

Compound Name4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
PubChem CID176606881
Molecular FormulaC31H27N3OS
Molecular Weight489.64 g/mol
Exact Mass489.19
IUPAC Name4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
SMILESCc1cc(O)c2nc(Sc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(C(C)(C)C)c2c1
InChIInChI=1S/C31H27N3OS/c1-19-15-23-24(31(2,3)4)18-29(33-30(23)27(35)16-19)36-20-12-13-22-21-9-5-6-10-25(21)34(26(22)17-20)28-11-7-8-14-32-28/h5-18,35H,1-4H3
InChIKeyQTBRWWVCRPBNJR-UHFFFAOYSA-N
XLogP8.19
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.64
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol with MolForge

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Related Compounds

4-tert-butyl-6-methyl-2-[9-(5-phenyl-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606482
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
CID 176606135
2,7-dimethyl-9-pyridin-2-ylcarbazole
CID 59557260
2-[3-(3-methylbenzimidazole-1,3-diium-1-yl)phenyl]sulfanyl-9-pyridin-2-ylcarbazole
CID 170671489
N-(4-tert-butylphenyl)-9-pyridin-2-ylcarbazol-2-amine
CID 170933731
11-pyridin-2-yl-[1]benzothiolo[3,2-b]carbazole
CID 118488537
2-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-9-pyridin-2-ylcarbazole
CID 160515375
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781
5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-(9-pyridin-2-ylcarbazol-2-yl)benzimidazol-2-yl]phenol
CID 164823623
2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-imidazol-1-yl]phenyl]sulfanyl-9-[4-(4-tert-butylphenyl)-2-pyridinyl]carbazole
CID 155651664

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol?
The IUPAC name of 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol (CID 176606881) is 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol.
What is the SMILES notation for 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol?
The canonical SMILES for 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol is Cc1cc(O)c2nc(Sc3ccc4c5ccccc5n(-c5ccccn5)c4c3)cc(C(C)(C)C)c2c1.
What is the InChIKey of 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol?
The InChIKey is QTBRWWVCRPBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N3OS/c1-19-15-23-24(31(2,3)4)18-29(33-30(23)27(35)16-19)36-20-12-13-22-21-9-5-6-10-25(21)34(26(22)17-20)28-11-7-8-14-32-28/h5-18,35H,1-4H3.
What are the key properties of 4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol?
4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol has a molecular weight of 489.64 g/mol, XLogP of 8.19, 3 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-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol is sourced from PubChem (CID 176606881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).