2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide

C94H83Br5N12O6S — CID 161197919

About 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide

2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide (PubChem CID 161197919) has the molecular formula C94H83Br5N12O6S and a molecular weight of 1908.36 g/mol. Its IUPAC name is 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide
• PubChem CID: 161197919
• Molecular Formula: C94H83Br5N12O6S
• Molecular Weight: 1908.36 g/mol
• Exact Mass: 1902.22
• IUPAC Name: 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide
• SMILES: Brc1ccc2[nH]c3c(c2c1)CCCC3c1nc2ccccc2o1.COc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1cc2ccccc2[nH]1.O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc[nH]1.O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1cccs1
• InChI: InChI=1S/C21H18BrN3O.C20H19BrN2O2.C19H15BrN2O.C17H16BrN3O.C17H15BrN2OS/c22-13-8-9-17-15(11-13)14-5-3-7-18(20(14)24-17)25-21(26)19-10-12-4-1-2-6-16(12)23-19;1-25-14-8-5-12(6-9-14)20(24)23-18-4-2-3-15-16-11-13(21)7-10-17(16)22-19(15)18;20-11-8-9-15-14(10-11)12-4-3-5-13(18(12)21-15)19-22-16-6-1-2-7-17(16)23-19;18-10-6-7-13-12(9-10)11-3-1-4-14(16(11)20-13)21-17(22)15-5-2-8-19-15;18-10-6-7-13-12(9-10)11-3-1-4-14(16(11)19-13)20-17(21)15-5-2-8-22-15/h1-2,4,6,8-11,18,23-24H,3,5,7H2,(H,25,26);5-11,18,22H,2-4H2,1H3,(H,23,24);1-2,6-10,13,21H,3-5H2;2,5-9,14,19-20H,1,3-4H2,(H,21,22);2,5-9,14,19H,1,3-4H2,(H,20,21)
• InChIKey: UUPBCTZHPOCQAD-UHFFFAOYSA-N
• XLogP: 24.37
• TPSA: 262.19 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1908.36
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide?

The IUPAC name of 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide (CID 161197919) is 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide.

What is the SMILES notation for 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide?

The canonical SMILES for 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide is Brc1ccc2[nH]c3c(c2c1)CCCC3c1nc2ccccc2o1.COc1ccc(C(=O)NC2CCCc3c2[nH]c2ccc(Br)cc32)cc1.O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1cc2ccccc2[nH]1.O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1ccc[nH]1.O=C(NC1CCCc2c1[nH]c1ccc(Br)cc21)c1cccs1.

What is the InChIKey of 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide?

The InChIKey is UUPBCTZHPOCQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN3O.C20H19BrN2O2.C19H15BrN2O.C17H16BrN3O.C17H15BrN2OS/c22-13-8-9-17-15(11-13)14-5-3-7-18(20(14)24-17)25-21(26)19-10-12-4-1-2-6-16(12)23-19;1-25-14-8-5-12(6-9-14)20(24)23-18-4-2-3-15-16-11-13(21)7-10-17(16)22-19(15)18;20-11-8-9-15-14(10-11)12-4-3-5-13(18(12)21-15)19-22-16-6-1-2-7-17(16)23-19;18-10-6-7-13-12(9-10)11-3-1-4-14(16(11)20-13)21-17(22)15-5-2-8-19-15;18-10-6-7-13-12(9-10)11-3-1-4-14(16(11)19-13)20-17(21)15-5-2-8-22-15/h1-2,4,6,8-11,18,23-24H,3,5,7H2,(H,25,26);5-11,18,22H,2-4H2,1H3,(H,23,24);1-2,6-10,13,21H,3-5H2;2,5-9,14,19-20H,1,3-4H2,(H,21,22);2,5-9,14,19H,1,3-4H2,(H,20,21).

What are the key properties of 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide?

2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide has a molecular weight of 1908.36 g/mol, XLogP of 24.37, 10 rotatable bonds, 11 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-indole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-4-methoxybenzamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1H-pyrrole-2-carboxamide;N-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 161197919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).