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

C99H78Cl4F4N8O4 — CID 165079590

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

[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 165079590) has the molecular formula C99H78Cl4F4N8O4 and a molecular weight of 1661.57 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

• Compound Name: [1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
• PubChem CID: 165079590
• Molecular Formula: C99H78Cl4F4N8O4
• Molecular Weight: 1661.57 g/mol
• Exact Mass: 1658.48
• IUPAC Name: [1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
• SMILES: Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)cc1.Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)c1.O=C(c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.O=C(c1cccc(C(F)(F)F)c1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1
• InChI: InChI=1S/C25H18ClF3N2O.2C25H21ClN2O.C24H18ClFN2O/c26-18-10-8-15(9-11-18)23-22-20(19-6-1-2-7-21(19)30-22)12-13-31(23)24(32)16-4-3-5-17(14-16)25(27,28)29;1-16-5-4-6-18(15-16)25(29)28-14-13-21-20-7-2-3-8-22(20)27-23(21)24(28)17-9-11-19(26)12-10-17;1-16-6-8-18(9-7-16)25(29)28-15-14-21-20-4-2-3-5-22(20)27-23(21)24(28)17-10-12-19(26)13-11-17;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/h1-11,14,23,30H,12-13H2;2-12,15,24,27H,13-14H2,1H3;2-13,24,27H,14-15H2,1H3;1-12,23,27H,13-14H2
• InChIKey: UWYAMSBVVSVEHN-UHFFFAOYSA-N
• XLogP: 24.21
• TPSA: 144.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1661.57
LogP ≤ 5	24.21
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 165079590) is [1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone.

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

The canonical SMILES for [1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone is Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)cc1.Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)c1.O=C(c1ccc(F)cc1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.O=C(c1cccc(C(F)(F)F)c1)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1.

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

The InChIKey is UWYAMSBVVSVEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF3N2O.2C25H21ClN2O.C24H18ClFN2O/c26-18-10-8-15(9-11-18)23-22-20(19-6-1-2-7-21(19)30-22)12-13-31(23)24(32)16-4-3-5-17(14-16)25(27,28)29;1-16-5-4-6-18(15-16)25(29)28-14-13-21-20-7-2-3-8-22(20)27-23(21)24(28)17-9-11-19(26)12-10-17;1-16-6-8-18(9-7-16)25(29)28-15-14-21-20-4-2-3-5-22(20)27-23(21)24(28)17-10-12-19(26)13-11-17;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/h1-11,14,23,30H,12-13H2;2-12,15,24,27H,13-14H2,1H3;2-13,24,27H,14-15H2,1H3;1-12,23,27H,13-14H2.

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

[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 1661.57 g/mol, XLogP of 24.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 165079590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).