4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C85H95F4N9O2 — CID 157245400

About 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 157245400) has the molecular formula C85H95F4N9O2 and a molecular weight of 1350.75 g/mol. Its IUPAC name is 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• PubChem CID: 157245400
• Molecular Formula: C85H95F4N9O2
• Molecular Weight: 1350.75 g/mol
• Exact Mass: 1349.75
• IUPAC Name: 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
• SMILES: CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1.CN1CCc2c(c3cc(F)ccc3n2CC(O)c2ccccc2)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCc2ccc(N(C)C)cc2)CCN(C)C1
• InChI: InChI=1S/C23H29N3.C21H21F3N2.C21H24N2O.C20H21FN2O/c1-17-5-10-22-20(15-17)21-16-25(4)13-12-23(21)26(22)14-11-18-6-8-19(9-7-18)24(2)3;1-25-11-10-20-18(14-25)17-13-16(21(22,23)24)7-8-19(17)26(20)12-9-15-5-3-2-4-6-15;1-15-8-9-19-17(12-15)18-13-22(2)11-10-20(18)23(19)14-21(24)16-6-4-3-5-7-16;1-22-10-9-19-17(12-22)16-11-15(21)7-8-18(16)23(19)13-20(24)14-5-3-2-4-6-14/h5-10,15H,11-14,16H2,1-4H3;2-8,13H,9-12,14H2,1H3;3-9,12,21,24H,10-11,13-14H2,1-2H3;2-8,11,20,24H,9-10,12-13H2,1H3
• InChIKey: AVRVWQWFMDDANC-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 76.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1350.75
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The IUPAC name of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 157245400) is 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

What is the SMILES notation for 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The canonical SMILES for 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CN1CCc2c(c3cc(C(F)(F)F)ccc3n2CCc2ccccc2)C1.CN1CCc2c(c3cc(F)ccc3n2CC(O)c2ccccc2)C1.Cc1ccc2c(c1)c1c(n2CC(O)c2ccccc2)CCN(C)C1.Cc1ccc2c(c1)c1c(n2CCc2ccc(N(C)C)cc2)CCN(C)C1.

What is the InChIKey of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

The InChIKey is AVRVWQWFMDDANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3.C21H21F3N2.C21H24N2O.C20H21FN2O/c1-17-5-10-22-20(15-17)21-16-25(4)13-12-23(21)26(22)14-11-18-6-8-19(9-7-18)24(2)3;1-25-11-10-20-18(14-25)17-13-16(21(22,23)24)7-8-19(17)26(20)12-9-15-5-3-2-4-6-15;1-15-8-9-19-17(12-15)18-13-22(2)11-10-20(18)23(19)14-21(24)16-6-4-3-5-7-16;1-22-10-9-19-17(12-22)16-11-15(21)7-8-18(16)23(19)13-20(24)14-5-3-2-4-6-14/h5-10,15H,11-14,16H2,1-4H3;2-8,13H,9-12,14H2,1H3;3-9,12,21,24H,10-11,13-14H2,1-2H3;2-8,11,20,24H,9-10,12-13H2,1H3.

What are the key properties of 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?

4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 1350.75 g/mol, XLogP of 16.31, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)ethyl]-N,N-dimethylaniline;2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenylethanol;2-methyl-5-(2-phenylethyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 157245400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).