2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol

C29H23N3OS — CID 176606775

IUPAC2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5cccc(S)c5n4)cc32)c1
InChIInChI=1S/C29H23N3OS/c1-18(2)20-14-15-30-27(16-20)32-24-8-4-3-7-22(24)23-12-11-21(17-25(23)32)33-28-13-10-19-6-5-9-26(34)29(19)31-28/h3-18,34H,1-2H3
InChIKeyWKMIUZHMWWNJQK-UHFFFAOYSA-N
MW461.59 g/mol
LogP7.93
Rot. Bonds4

About 2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol

2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol (PubChem CID 176606775) has the molecular formula C29H23N3OS and a molecular weight of 461.59 g/mol. Its IUPAC name is 2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol.

Molecular Properties

Compound Name2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol
PubChem CID176606775
Molecular FormulaC29H23N3OS
Molecular Weight461.59 g/mol
Exact Mass461.16
IUPAC Name2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5cccc(S)c5n4)cc32)c1
InChIInChI=1S/C29H23N3OS/c1-18(2)20-14-15-30-27(16-20)32-24-8-4-3-7-22(24)23-12-11-21(17-25(23)32)33-28-13-10-19-6-5-9-26(34)29(19)31-28/h3-18,34H,1-2H3
InChIKeyWKMIUZHMWWNJQK-UHFFFAOYSA-N
XLogP7.93
TPSA39.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.59
LogP ≤ 57.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
2-[[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]methyl]quinolin-8-ol
CID 176606207
2-bromo-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 118915707
2-[3-[2-(2,6-dimethylphenyl)-5-methyl-1,2,4-triazol-3-yl]-5-isocyanophenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 170513445
5-propan-2-yl-2-(9-pyrazin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606879
8-isocyano-3-methyl-11-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxy-[1,2,4]triazolo[4,3-f]phenanthridine
CID 153411606
6-propan-2-yl-2-(8-propan-2-yl-9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176605977
2-[9-[4-(aziridin-1-yl)-5-methyl-2-pyridinyl]carbazol-2-yl]oxyquinolin-8-ol
CID 176605735
2-[3-[4-(2,6-diphenylphenyl)pyrazol-1-yl]phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 153413086
2-[3-(1-methyl-5H-imidazo[1,2-a]pyridin-2-yl)phenoxy]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 162281126
2-[3-(3-methyl-2H-imidazol-1-yl)phenoxy]-5-phenyl-10-(4-propan-2-yl-2-pyridinyl)indolo[3,2-b]indole
CID 169031337
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-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol?
The IUPAC name of 2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol (CID 176606775) is 2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol.
What is the SMILES notation for 2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol?
The canonical SMILES for 2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol is CC(C)c1ccnc(-n2c3ccccc3c3ccc(Oc4ccc5cccc(S)c5n4)cc32)c1.
What is the InChIKey of 2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol?
The InChIKey is WKMIUZHMWWNJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3OS/c1-18(2)20-14-15-30-27(16-20)32-24-8-4-3-7-22(24)23-12-11-21(17-25(23)32)33-28-13-10-19-6-5-9-26(34)29(19)31-28/h3-18,34H,1-2H3.
What are the key properties of 2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol?
2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol has a molecular weight of 461.59 g/mol, XLogP of 7.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]oxyquinoline-8-thiol is sourced from PubChem (CID 176606775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).