2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole

C131H97N15O17S7 — CID 159510676

IUPAC2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole
SMILESCc1nc2cc3c(cc2[nH]1)c1ccccc1n3C.Cc1nc2cc3c(cc2o1)[nH]c1ccc(SOOO)cc13.Cc1nc2cc3c(cc2o1)[nH]c1ccccc13.Cc1nc2cc3c(cc2o1)oc1ccccc13.Cc1nc2cc3c(cc2o1)sc1ccccc13.Cc1nc2cc3c(cc2s1)oc1ccccc13.Cc1nc2cc3c(cc2s1)sc1ccc(SOOO)cc13.Cc1nc2cc3c4ccccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCS(=O)(=O)O)c3cc2o1
InChIInChI=1S/C17H16N2O4S.C15H13N3.C15H12N2O.C14H10N2O4S.C14H10N2O.C14H9NO3S3.C14H9NO2.2C14H9NOS/c1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24(20,21)22)16(13)10-17(14)23-11;1-9-16-12-7-11-10-5-3-4-6-14(10)18(2)15(11)8-13(12)17-9;1-9-16-12-7-11-10-5-3-4-6-13(10)17(2)14(11)8-15(12)18-9;1-7-15-13-5-10-9-4-8(21-20-19-17)2-3-11(9)16-12(10)6-14(13)18-7;1-8-15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14(13)17-8;1-7-15-11-5-10-9-4-8(21-18-17-16)2-3-12(9)20-13(10)6-14(11)19-7;1-8-15-11-6-10-9-4-2-3-5-12(9)17-13(10)7-14(11)16-8;1-8-15-11-6-10-9-4-2-3-5-13(9)17-14(10)7-12(11)16-8;1-8-15-11-6-10-9-4-2-3-5-12(9)16-13(10)7-14(11)17-8/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21,22);3-8H,1-2H3,(H,16,17);3-8H,1-2H3;2-6,16-17H,1H3;2-7,16H,1H3;2-6,16H,1H3;3*2-7H,1H3
InChIKeyMAOHEAWLNWXUOI-UHFFFAOYSA-N
MW2377.77 g/mol
LogP37.23
Rot. Bonds10

About 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole

2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole (PubChem CID 159510676) has the molecular formula C131H97N15O17S7 and a molecular weight of 2377.77 g/mol. Its IUPAC name is 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole.

Molecular Properties

Compound Name2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole
PubChem CID159510676
Molecular FormulaC131H97N15O17S7
Molecular Weight2377.77 g/mol
Exact Mass2375.52
IUPAC Name2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole
SMILESCc1nc2cc3c(cc2[nH]1)c1ccccc1n3C.Cc1nc2cc3c(cc2o1)[nH]c1ccc(SOOO)cc13.Cc1nc2cc3c(cc2o1)[nH]c1ccccc13.Cc1nc2cc3c(cc2o1)oc1ccccc13.Cc1nc2cc3c(cc2o1)sc1ccccc13.Cc1nc2cc3c(cc2s1)oc1ccccc13.Cc1nc2cc3c(cc2s1)sc1ccc(SOOO)cc13.Cc1nc2cc3c4ccccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCS(=O)(=O)O)c3cc2o1
InChIInChI=1S/C17H16N2O4S.C15H13N3.C15H12N2O.C14H10N2O4S.C14H10N2O.C14H9NO3S3.C14H9NO2.2C14H9NOS/c1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24(20,21)22)16(13)10-17(14)23-11;1-9-16-12-7-11-10-5-3-4-6-14(10)18(2)15(11)8-13(12)17-9;1-9-16-12-7-11-10-5-3-4-6-13(10)17(2)14(11)8-15(12)18-9;1-7-15-13-5-10-9-4-8(21-20-19-17)2-3-11(9)16-12(10)6-14(13)18-7;1-8-15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14(13)17-8;1-7-15-11-5-10-9-4-8(21-18-17-16)2-3-12(9)20-13(10)6-14(11)19-7;1-8-15-11-6-10-9-4-2-3-5-12(9)17-13(10)7-14(11)16-8;1-8-15-11-6-10-9-4-2-3-5-13(9)17-14(10)7-12(11)16-8;1-8-15-11-6-10-9-4-2-3-5-12(9)16-13(10)7-14(11)17-8/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21,22);3-8H,1-2H3,(H,16,17);3-8H,1-2H3;2-6,16-17H,1H3;2-7,16H,1H3;2-6,16H,1H3;3*2-7H,1H3
InChIKeyMAOHEAWLNWXUOI-UHFFFAOYSA-N
XLogP37.23
TPSA415.04 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds10
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002377.77
LogP ≤ 537.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole?
The IUPAC name of 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole (CID 159510676) is 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole.
What is the SMILES notation for 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole?
The canonical SMILES for 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole is Cc1nc2cc3c(cc2[nH]1)c1ccccc1n3C.Cc1nc2cc3c(cc2o1)[nH]c1ccc(SOOO)cc13.Cc1nc2cc3c(cc2o1)[nH]c1ccccc13.Cc1nc2cc3c(cc2o1)oc1ccccc13.Cc1nc2cc3c(cc2o1)sc1ccccc13.Cc1nc2cc3c(cc2s1)oc1ccccc13.Cc1nc2cc3c(cc2s1)sc1ccc(SOOO)cc13.Cc1nc2cc3c4ccccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCS(=O)(=O)O)c3cc2o1.
What is the InChIKey of 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole?
The InChIKey is MAOHEAWLNWXUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S.C15H13N3.C15H12N2O.C14H10N2O4S.C14H10N2O.C14H9NO3S3.C14H9NO2.2C14H9NOS/c1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24(20,21)22)16(13)10-17(14)23-11;1-9-16-12-7-11-10-5-3-4-6-14(10)18(2)15(11)8-13(12)17-9;1-9-16-12-7-11-10-5-3-4-6-13(10)17(2)14(11)8-15(12)18-9;1-7-15-13-5-10-9-4-8(21-20-19-17)2-3-11(9)16-12(10)6-14(13)18-7;1-8-15-13-6-10-9-4-2-3-5-11(9)16-12(10)7-14(13)17-8;1-7-15-11-5-10-9-4-8(21-18-17-16)2-3-12(9)20-13(10)6-14(11)19-7;1-8-15-11-6-10-9-4-2-3-5-12(9)17-13(10)7-14(11)16-8;1-8-15-11-6-10-9-4-2-3-5-13(9)17-14(10)7-12(11)16-8;1-8-15-11-6-10-9-4-2-3-5-12(9)16-13(10)7-14(11)17-8/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21,22);3-8H,1-2H3,(H,16,17);3-8H,1-2H3;2-6,16-17H,1H3;2-7,16H,1H3;2-6,16H,1H3;3*2-7H,1H3.
What are the key properties of 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole?
2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole has a molecular weight of 2377.77 g/mol, XLogP of 37.23, 10 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzothiazole;2-methyl-[1]benzofuro[3,2-f][1,3]benzoxazole;2-methyl-[1]benzothiolo[3,2-f][1,3]benzoxazole;2-methyl-9H-[1,3]oxazolo[5,4-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;2-methyl-6-(trioxidanylsulfanyl)-[1]benzothiolo[3,2-f][1,3]benzothiazole;2-methyl-6-(trioxidanylsulfanyl)-9H-[1,3]oxazolo[5,4-b]carbazole is sourced from PubChem (CID 159510676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).