2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane

C83H81N13O15S4 — CID 160850954

About 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane

2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane (PubChem CID 160850954) has the molecular formula C83H81N13O15S4 and a molecular weight of 1628.90 g/mol. Its IUPAC name is 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane.

Molecular Properties

• Compound Name: 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane
• PubChem CID: 160850954
• Molecular Formula: C83H81N13O15S4
• Molecular Weight: 1628.90 g/mol
• Exact Mass: 1627.49
• IUPAC Name: 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane
• SMILES: CCn1c(C)nc2cc3c(cc21)[nH]c1ccccc13.Cc1nc2cc3c(cc2[nH]1)c1ccccc1n3C.Cc1nc2cc3c(cc2o1)[nH]c1ccc(S(O)(O)O)cc13.Cc1nc2cc3c4cc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)ccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCS(=O)(=O)O)c3cc2o1
• InChI: InChI=1S/C21H25N3O7S2.C17H16N2O4S.C16H15N3.C15H13N3.C14H12N2O4S/c1-14-22-18-12-17-16-11-15(5-6-19(16)23(2)20(17)13-21(18)31-14)24(7-3-9-32(25,26)27)8-4-10-33(28,29)30;1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24(20,21)22)16(13)10-17(14)23-11;1-3-19-10(2)17-15-8-12-11-6-4-5-7-13(11)18-14(12)9-16(15)19;1-9-16-12-7-11-10-5-3-4-6-14(10)18(2)15(11)8-13(12)17-9;1-7-15-13-5-10-9-4-8(21(17,18)19)2-3-11(9)16-12(10)6-14(13)20-7/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,25,26,27)(H,28,29,30);2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21,22);4-9,18H,3H2,1-2H3;3-8H,1-2H3,(H,16,17);2-6,16-19H,1H3
• InChIKey: SJGGDIVHFSEEEZ-UHFFFAOYSA-N
• XLogP: 18.53
• TPSA: 398.00 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1628.90
LogP ≤ 5	18.53
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane?

The IUPAC name of 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane (CID 160850954) is 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane.

What is the SMILES notation for 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane?

The canonical SMILES for 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane is CCn1c(C)nc2cc3c(cc21)[nH]c1ccccc13.Cc1nc2cc3c(cc2[nH]1)c1ccccc1n3C.Cc1nc2cc3c(cc2o1)[nH]c1ccc(S(O)(O)O)cc13.Cc1nc2cc3c4cc(N(CCCS(=O)(=O)O)CCCS(=O)(=O)O)ccc4n(C)c3cc2o1.Cc1nc2cc3c4ccccc4n(CCCS(=O)(=O)O)c3cc2o1.

What is the InChIKey of 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane?

The InChIKey is SJGGDIVHFSEEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O7S2.C17H16N2O4S.C16H15N3.C15H13N3.C14H12N2O4S/c1-14-22-18-12-17-16-11-15(5-6-19(16)23(2)20(17)13-21(18)31-14)24(7-3-9-32(25,26)27)8-4-10-33(28,29)30;1-11-18-14-9-13-12-5-2-3-6-15(12)19(7-4-8-24(20,21)22)16(13)10-17(14)23-11;1-3-19-10(2)17-15-8-12-11-6-4-5-7-13(11)18-14(12)9-16(15)19;1-9-16-12-7-11-10-5-3-4-6-14(10)18(2)15(11)8-13(12)17-9;1-7-15-13-5-10-9-4-8(21(17,18)19)2-3-11(9)16-12(10)6-14(13)20-7/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,25,26,27)(H,28,29,30);2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21,22);4-9,18H,3H2,1-2H3;3-8H,1-2H3,(H,16,17);2-6,16-19H,1H3.

What are the key properties of 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane?

2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane has a molecular weight of 1628.90 g/mol, XLogP of 18.53, 15 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-dimethyl-3H-imidazo[4,5-b]carbazole;3-[(2,9-dimethyl-[1,3]oxazolo[5,4-b]carbazol-6-yl)-(3-sulfopropyl)amino]propane-1-sulfonic acid;1-ethyl-2-methyl-9H-imidazo[4,5-b]carbazole;3-(2-methyl-[1,3]oxazolo[5,4-b]carbazol-9-yl)propane-1-sulfonic acid;trihydroxy-(2-methyl-9H-[1,3]oxazolo[5,4-b]carbazol-6-yl)-λ4-sulfane is sourced from PubChem (CID 160850954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).