2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

C101H86Cl6N8O3 — CID 165096298

About 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone

2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone (PubChem CID 165096298) has the molecular formula C101H86Cl6N8O3 and a molecular weight of 1672.57 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone.

Molecular Properties

• Compound Name: 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
• PubChem CID: 165096298
• Molecular Formula: C101H86Cl6N8O3
• Molecular Weight: 1672.57 g/mol
• Exact Mass: 1668.50
• IUPAC Name: 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
• SMILES: Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1.Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(Cl)cc2Cl)cc1.Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)cc1.Cc1ccc(C2c3[nH]c4ccccc4c3CCN2Cc2cc(Cl)cc(Cl)c2)cc1
• InChI: InChI=1S/C26H24N2O.2C25H20Cl2N2O.C25H22Cl2N2/c1-17-11-13-19(14-12-17)25-24-22(21-9-5-6-10-23(21)27-24)15-16-28(25)26(29)20-8-4-3-7-18(20)2;1-15-6-8-16(9-7-15)24-23-19(18-4-2-3-5-22(18)28-23)12-13-29(24)25(30)20-11-10-17(26)14-21(20)27;1-15-6-8-16(9-7-15)24-23-19(18-4-2-3-5-22(18)28-23)12-13-29(24)25(30)17-10-11-20(26)21(27)14-17;1-16-6-8-18(9-7-16)25-24-22(21-4-2-3-5-23(21)28-24)10-11-29(25)15-17-12-19(26)14-20(27)13-17/h3-14,25,27H,15-16H2,1-2H3;2*2-11,14,24,28H,12-13H2,1H3;2-9,12-14,25,28H,10-11,15H2,1H3
• InChIKey: XOKCIXNNKVFFHO-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 127.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1672.57
LogP ≤ 5	25.65
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 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

The IUPAC name of 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone (CID 165096298) is 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone.

What is the SMILES notation for 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

The canonical SMILES for 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone is Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(Cl)c(Cl)c2)cc1.Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(Cl)cc2Cl)cc1.Cc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)cc1.Cc1ccc(C2c3[nH]c4ccccc4c3CCN2Cc2cc(Cl)cc(Cl)c2)cc1.

What is the InChIKey of 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

The InChIKey is XOKCIXNNKVFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O.2C25H20Cl2N2O.C25H22Cl2N2/c1-17-11-13-19(14-12-17)25-24-22(21-9-5-6-10-23(21)27-24)15-16-28(25)26(29)20-8-4-3-7-18(20)2;1-15-6-8-16(9-7-15)24-23-19(18-4-2-3-5-22(18)28-23)12-13-29(24)25(30)20-11-10-17(26)14-21(20)27;1-15-6-8-16(9-7-15)24-23-19(18-4-2-3-5-22(18)28-23)12-13-29(24)25(30)17-10-11-20(26)21(27)14-17;1-16-6-8-18(9-7-16)25-24-22(21-4-2-3-5-23(21)28-24)10-11-29(25)15-17-12-19(26)14-20(27)13-17/h3-14,25,27H,15-16H2,1-2H3;2*2-11,14,24,28H,12-13H2,1H3;2-9,12-14,25,28H,10-11,15H2,1H3.

What are the key properties of 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone?

2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone has a molecular weight of 1672.57 g/mol, XLogP of 25.65, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichlorophenyl)methyl]-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;(2,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(3,4-dichlorophenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;(2-methylphenyl)-[1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone is sourced from PubChem (CID 165096298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).