6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

C118H114Br5N15O4 — CID 160933129

About 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (PubChem CID 160933129) has the molecular formula C118H114Br5N15O4 and a molecular weight of 2205.83 g/mol. Its IUPAC name is 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
• PubChem CID: 160933129
• Molecular Formula: C118H114Br5N15O4
• Molecular Weight: 2205.83 g/mol
• Exact Mass: 2199.51
• IUPAC Name: 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
• SMILES: Brc1ccc2[nH]c3c(c2c1)CCCC3N1CCCC1.Brc1ccc2[nH]c3c(c2c1)CCCC3c1nc2ccccc2o1.Brc1ccc2c3c([nH]c2c1)C(n1cccc1)CCC3.Brc1cccc2c3c([nH]c12)C(n1cccc1)CCC3.Cn1c2c(c3cc(Br)ccc31)CCCC2n1cccc1.NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3n1cccc1.O=C(O)c1ccc2[nH]c3c(c2c1)CCCC3n1cccc1
• InChI: InChI=1S/C19H15BrN2O.C17H17BrN2.C17H17N3O.C17H16N2O2.2C16H15BrN2.C16H19BrN2/c20-11-8-9-15-14(10-11)12-4-3-5-13(18(12)21-15)19-22-16-6-1-2-7-17(16)23-19;1-19-15-8-7-12(18)11-14(15)13-5-4-6-16(17(13)19)20-9-2-3-10-20;18-17(21)11-6-7-14-13(10-11)12-4-3-5-15(16(12)19-14)20-8-1-2-9-20;20-17(21)11-6-7-14-13(10-11)12-4-3-5-15(16(12)18-14)19-8-1-2-9-19;17-13-7-3-5-11-12-6-4-8-14(16(12)18-15(11)13)19-9-1-2-10-19;17-11-6-7-12-13-4-3-5-15(19-8-1-2-9-19)16(13)18-14(12)10-11;17-11-6-7-14-13(10-11)12-4-3-5-15(16(12)18-14)19-8-1-2-9-19/h1-2,6-10,13,21H,3-5H2;2-3,7-11,16H,4-6H2,1H3;1-2,6-10,15,19H,3-5H2,(H2,18,21);1-2,6-10,15,18H,3-5H2,(H,20,21);1-3,5,7,9-10,14,18H,4,6,8H2;1-2,6-10,15,18H,3-5H2;6-7,10,15,18H,1-5,8-9H2
• InChIKey: STNDFXCZBHCORR-UHFFFAOYSA-N
• XLogP: 30.51
• TPSA: 233.98 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2205.83
LogP ≤ 5	30.51
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?

The IUPAC name of 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (CID 160933129) is 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid.

What is the SMILES notation for 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?

The canonical SMILES for 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid is Brc1ccc2[nH]c3c(c2c1)CCCC3N1CCCC1.Brc1ccc2[nH]c3c(c2c1)CCCC3c1nc2ccccc2o1.Brc1ccc2c3c([nH]c2c1)C(n1cccc1)CCC3.Brc1cccc2c3c([nH]c12)C(n1cccc1)CCC3.Cn1c2c(c3cc(Br)ccc31)CCCC2n1cccc1.NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3n1cccc1.O=C(O)c1ccc2[nH]c3c(c2c1)CCCC3n1cccc1.

What is the InChIKey of 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?

The InChIKey is STNDFXCZBHCORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O.C17H17BrN2.C17H17N3O.C17H16N2O2.2C16H15BrN2.C16H19BrN2/c20-11-8-9-15-14(10-11)12-4-3-5-13(18(12)21-15)19-22-16-6-1-2-7-17(16)23-19;1-19-15-8-7-12(18)11-14(15)13-5-4-6-16(17(13)19)20-9-2-3-10-20;18-17(21)11-6-7-14-13(10-11)12-4-3-5-15(16(12)19-14)20-8-1-2-9-20;20-17(21)11-6-7-14-13(10-11)12-4-3-5-15(16(12)18-14)19-8-1-2-9-19;17-13-7-3-5-11-12-6-4-8-14(16(12)18-15(11)13)19-9-1-2-10-19;17-11-6-7-12-13-4-3-5-15(19-8-1-2-9-19)16(13)18-14(12)10-11;17-11-6-7-14-13(10-11)12-4-3-5-15(16(12)18-14)19-8-1-2-9-19/h1-2,6-10,13,21H,3-5H2;2-3,7-11,16H,4-6H2,1H3;1-2,6-10,15,19H,3-5H2,(H2,18,21);1-2,6-10,15,18H,3-5H2,(H,20,21);1-3,5,7,9-10,14,18H,4,6,8H2;1-2,6-10,15,18H,3-5H2;6-7,10,15,18H,1-5,8-9H2.

What are the key properties of 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?

6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid has a molecular weight of 2205.83 g/mol, XLogP of 30.51, 9 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-9-methyl-1-pyrrol-1-yl-1,2,3,4-tetrahydrocarbazole;6-bromo-1-pyrrolidin-1-yl-2,3,4,9-tetrahydro-1H-carbazole;7-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;8-bromo-1-pyrrol-1-yl-2,3,4,9-tetrahydro-1H-carbazole;2-(6-bromo-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazole;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;8-pyrrol-1-yl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid is sourced from PubChem (CID 160933129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).