(3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone

C126H105Cl3F4N10O8 — CID 165074931

About (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone

(3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 165074931) has the molecular formula C126H105Cl3F4N10O8 and a molecular weight of 2069.64 g/mol. Its IUPAC name is (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

• Compound Name: (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
• PubChem CID: 165074931
• Molecular Formula: C126H105Cl3F4N10O8
• Molecular Weight: 2069.64 g/mol
• Exact Mass: 2066.71
• IUPAC Name: (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
• SMILES: COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)cc1.Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)c1C.O=C(c1cccc(Cl)c1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1
• InChI: InChI=1S/C26H23ClN2O.C26H21F3N2O2.C25H21FN2O2.C25H22N2O2.C24H18Cl2N2O/c1-16-6-5-8-20(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;1-33-19-12-8-16(9-13-19)24-23-21(20-4-2-3-5-22(20)30-23)14-15-31(24)25(32)17-6-10-18(11-7-17)26(27,28)29;1-30-19-12-8-16(9-13-19)24-23-21(20-4-2-3-5-22(20)27-23)14-15-28(24)25(29)17-6-10-18(26)11-7-17;1-29-19-13-11-17(12-14-19)24-23-21(20-9-5-6-10-22(20)26-23)15-16-27(24)25(28)18-7-3-2-4-8-18;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/h3-13,25,28H,14-15H2,1-2H3;2-13,24,30H,14-15H2,1H3;2-13,24,27H,14-15H2,1H3;2-14,24,26H,15-16H2,1H3;1-11,14,23,27H,12-13H2
• InChIKey: UDKYAXSEECFKPX-UHFFFAOYSA-N
• XLogP: 28.54
• TPSA: 208.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2069.64
LogP ≤ 5	28.54
H-Bond Donors ≤ 5	5
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 (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone?

The IUPAC name of (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 165074931) is (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone.

What is the SMILES notation for (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone?

The canonical SMILES for (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone is COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2)cc1.COc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2)cc1.Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)c1C.O=C(c1cccc(Cl)c1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.

What is the InChIKey of (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone?

The InChIKey is UDKYAXSEECFKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O.C26H21F3N2O2.C25H21FN2O2.C25H22N2O2.C24H18Cl2N2O/c1-16-6-5-8-20(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;1-33-19-12-8-16(9-13-19)24-23-21(20-4-2-3-5-22(20)30-23)14-15-31(24)25(32)17-6-10-18(11-7-17)26(27,28)29;1-30-19-12-8-16(9-13-19)24-23-21(20-4-2-3-5-22(20)27-23)14-15-28(24)25(29)17-6-10-18(26)11-7-17;1-29-19-13-11-17(12-14-19)24-23-21(20-9-5-6-10-22(20)26-23)15-16-27(24)25(28)18-7-3-2-4-8-18;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/h3-13,25,28H,14-15H2,1-2H3;2-13,24,30H,14-15H2,1H3;2-13,24,27H,14-15H2,1H3;2-14,24,26H,15-16H2,1H3;1-11,14,23,27H,12-13H2.

What are the key properties of (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone?

(3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 2069.64 g/mol, XLogP of 28.54, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3-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;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 165074931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).