9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene

C48H36N4OS — CID 158370144

IUPAC9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene
SMILESc1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1nccnc12
InChIInChI=1S/C13H10O.C13H10S.C12H9N.C10H7N3/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9/h2*1-8H,9H2;1-8,13H;1-6H,(H,12,13)
InChIKeyGUMYRXOSIQYHAX-UHFFFAOYSA-N
MW716.91 g/mol
LogP12.56
Rot. Bonds

About 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene

9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene (PubChem CID 158370144) has the molecular formula C48H36N4OS and a molecular weight of 716.91 g/mol. Its IUPAC name is 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene.

Molecular Properties

Compound Name9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene
PubChem CID158370144
Molecular FormulaC48H36N4OS
Molecular Weight716.91 g/mol
Exact Mass716.26
IUPAC Name9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene
SMILESc1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1nccnc12
InChIInChI=1S/C13H10O.C13H10S.C12H9N.C10H7N3/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9/h2*1-8H,9H2;1-8,13H;1-6H,(H,12,13)
InChIKeyGUMYRXOSIQYHAX-UHFFFAOYSA-N
XLogP12.56
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.91
LogP ≤ 512.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-5-(2-(9H-Purin-8-yl)propan-2-yl)-9-fluoro-2-(4-(methylsulfonyl)phenyl)-5H-chromeno[2,3-b]pyridine
CID 117910901
4-(4-methoxyphenyl)sulfanyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indole
CID 72194805
2-[4-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-19-oxa-3-thiapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-4,6,11,13,15,17-hexaen-4-yl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 139244344
2-[4-(8,8,9,9,10,10-hexafluoro-1,2-dimethyl-19-oxa-3-thiapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-4,6,11,13,15,17-hexaen-4-yl)phenyl]-1H-imidazo[4,5-f][1,10]phenanthroline-3,7,8-triium
CID 139244345
2-(1-benzothiophen-3-yl)-N-(4-phenoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117086527
9-fluoro-2-(4-methylsulfonylphenyl)-5-[2-(7H-purin-8-yl)propan-2-yl]-5H-chromeno[2,3-b]pyridine
CID 117910902
N-[(2R)-2-bicyclo[2.2.2]octanyl]-2-(5,7-difluoro-1H-indol-3-yl)-6-phenoxathiin-3-ylpyrimidin-4-amine
CID 134272655
N-(2-bicyclo[2.2.2]octanyl)-2-(5,7-difluoro-1H-indol-3-yl)-6-phenoxathiin-3-ylpyrimidin-4-amine
CID 142287888
2-(5,7-difluoro-1H-indol-3-yl)-6-phenoxathiin-3-ylpyrimidin-4-amine
CID 142287907
6-(3-cyclohexyloxy-5-methylphenyl)-4-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]pyrido[2,3-d]pyrimidine
CID 145248589
2-(1-benzothiophen-3-yl)-N-(4-phenoxyphenyl)-7H-purin-6-amine
CID 117083723
8-(1-benzothiophen-3-yl)-N-(4-phenoxyphenyl)-9-propan-2-ylpurin-6-amine
CID 117087232

Frequently Asked Questions

What is the IUPAC name of 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene?
The IUPAC name of 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene (CID 158370144) is 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene.
What is the SMILES notation for 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene?
The canonical SMILES for 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene is c1ccc2c(c1)Cc1ccccc1O2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1nccnc12.
What is the InChIKey of 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene?
The InChIKey is GUMYRXOSIQYHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C13H10S.C12H9N.C10H7N3/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9/h2*1-8H,9H2;1-8,13H;1-6H,(H,12,13).
What are the key properties of 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene?
9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene has a molecular weight of 716.91 g/mol, XLogP of 12.56, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazole;5H-pyrazino[2,3-b]indole;9H-thioxanthene;9H-xanthene is sourced from PubChem (CID 158370144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).