2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol

C26H17N3OS — CID 176606135

IUPAC2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
SMILES[2H]c1ccc2c(c1)c1cc([2H])c(Sc3ccc4cccc(O)c4n3)cc1n2-c1ccccn1
InChIInChI=1S/C26H17N3OS/c30-23-9-5-6-17-11-14-25(28-26(17)23)31-18-12-13-20-19-7-1-2-8-21(19)29(22(20)16-18)24-10-3-4-15-27-24/h1-16,30H/i1D,12D
InChIKeyXIZWHCSBPSWLRO-WLDPALOGSA-N
MW421.52 g/mol
LogP6.58
Rot. Bonds3

About 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol

2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol (PubChem CID 176606135) has the molecular formula C26H17N3OS and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol.

Molecular Properties

Compound Name2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
PubChem CID176606135
Molecular FormulaC26H17N3OS
Molecular Weight421.52 g/mol
Exact Mass421.12
IUPAC Name2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
SMILES[2H]c1ccc2c(c1)c1cc([2H])c(Sc3ccc4cccc(O)c4n3)cc1n2-c1ccccn1
InChIInChI=1S/C26H17N3OS/c30-23-9-5-6-17-11-14-25(28-26(17)23)31-18-12-13-20-19-7-1-2-8-21(19)29(22(20)16-18)24-10-3-4-15-27-24/h1-16,30H/i1D,12D
InChIKeyXIZWHCSBPSWLRO-WLDPALOGSA-N
XLogP6.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.52
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol with MolForge

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Related Compounds

4-tert-butyl-6-methyl-2-(9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol
CID 176606881
5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
2-[4-tert-butyl-9-(3,5-dideuterio-2-pyridinyl)carbazol-2-yl]oxyquinolin-8-ol
CID 176606543
4-phenyl-6-pyridin-2-ylindolo[2,3-b]quinoline
CID 157124966
9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 89017135
2-[2-[9-(4,5-dideuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]propan-2-yl]quinolin-8-ol;platinum
CID 176606465
5-tert-butyl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606050
5-deuterio-2-[[9-(4-deuterio-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
CID 176606095
12-phenyl-22-pyridin-2-yl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 122464990
2-(3-cyano-9-pyridin-2-ylcarbazol-2-yl)sulfanyl-9-pyridin-2-ylcarbazole-3-carbonitrile
CID 140906146
2-[2-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]propan-2-yl]quinolin-8-ol
CID 176606257
9-(5-deuterio-2-pyridinyl)-2-[3-[(4-deuterio-2-pyridinyl)oxy]phenyl]carbazole
CID 153421368

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol?
The IUPAC name of 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol (CID 176606135) is 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol.
What is the SMILES notation for 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol?
The canonical SMILES for 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol is [2H]c1ccc2c(c1)c1cc([2H])c(Sc3ccc4cccc(O)c4n3)cc1n2-c1ccccn1.
What is the InChIKey of 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol?
The InChIKey is XIZWHCSBPSWLRO-WLDPALOGSA-N. The full InChI is InChI=1S/C26H17N3OS/c30-23-9-5-6-17-11-14-25(28-26(17)23)31-18-12-13-20-19-7-1-2-8-21(19)29(22(20)16-18)24-10-3-4-15-27-24/h1-16,30H/i1D,12D.
What are the key properties of 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol?
2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol has a molecular weight of 421.52 g/mol, XLogP of 6.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dideuterio-9-pyridin-2-ylcarbazol-2-yl)sulfanylquinolin-8-ol is sourced from PubChem (CID 176606135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).