(4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone

C127H107Cl7N10O5 — CID 158522833

About (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone

(4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone (PubChem CID 158522833) has the molecular formula C127H107Cl7N10O5 and a molecular weight of 2101.49 g/mol. Its IUPAC name is (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone.

Molecular Properties

• Compound Name: (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone
• PubChem CID: 158522833
• Molecular Formula: C127H107Cl7N10O5
• Molecular Weight: 2101.49 g/mol
• Exact Mass: 2096.62
• IUPAC Name: (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone
• SMILES: CC(C)(C)c1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)cc1.Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)c1C.Cc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.O=C(c1cccc(Cl)c1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1
• InChI: InChI=1S/C28H27ClN2O.C26H23ClN2O.C25H21ClN2O.2C24H18Cl2N2O/c1-28(2,3)20-12-8-19(9-13-20)27(32)31-17-16-23-22-6-4-5-7-24(22)30-25(23)26(31)18-10-14-21(29)15-11-18;1-16-6-5-8-20(17(16)2)26(30)29-15-14-22-21-7-3-4-9-23(21)28-24(22)25(29)18-10-12-19(27)13-11-18;1-16-6-2-3-7-19(16)25(29)28-15-14-21-20-8-4-5-9-22(20)27-23(21)24(28)17-10-12-18(26)13-11-17;25-17-10-8-15(9-11-17)23-22-20(19-6-1-2-7-21(19)27-22)12-13-28(23)24(29)16-4-3-5-18(26)14-16;25-17-9-5-15(6-10-17)23-22-20(19-3-1-2-4-21(19)27-22)13-14-28(23)24(29)16-7-11-18(26)12-8-16/h4-15,26,30H,16-17H2,1-3H3;3-13,25,28H,14-15H2,1-2H3;2-13,24,27H,14-15H2,1H3;1-11,14,23,27H,12-13H2;1-12,23,27H,13-14H2
• InChIKey: HMKRPFMZPDJQSE-UHFFFAOYSA-N
• XLogP: 31.58
• TPSA: 180.50 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2101.49
LogP ≤ 5	31.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone?

The IUPAC name of (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone (CID 158522833) is (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone.

What is the SMILES notation for (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone?

The canonical SMILES for (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone is CC(C)(C)c1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)cc1.Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)c1C.Cc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.O=C(c1cccc(Cl)c1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.

What is the InChIKey of (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone?

The InChIKey is HMKRPFMZPDJQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27ClN2O.C26H23ClN2O.C25H21ClN2O.2C24H18Cl2N2O/c1-28(2,3)20-12-8-19(9-13-20)27(32)31-17-16-23-22-6-4-5-7-24(22)30-25(23)26(31)18-10-14-21(29)15-11-18;1-16-6-5-8-20(17(16)2)26(30)29-15-14-22-21-7-3-4-9-23(21)28-24(22)25(29)18-10-12-19(27)13-11-18;1-16-6-2-3-7-19(16)25(29)28-15-14-21-20-8-4-5-9-22(20)27-23(21)24(28)17-10-12-18(26)13-11-17;25-17-10-8-15(9-11-17)23-22-20(19-6-1-2-7-21(19)27-22)12-13-28(23)24(29)16-4-3-5-18(26)14-16;25-17-9-5-15(6-10-17)23-22-20(19-3-1-2-4-21(19)27-22)13-14-28(23)24(29)16-7-11-18(26)12-8-16/h4-15,26,30H,16-17H2,1-3H3;3-13,25,28H,14-15H2,1-2H3;2-13,24,27H,14-15H2,1H3;1-11,14,23,27H,12-13H2;1-12,23,27H,13-14H2.

What are the key properties of (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone?

(4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone has a molecular weight of 2101.49 g/mol, XLogP of 31.58, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylphenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(4-chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 158522833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).