(1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one

C164H163ClF3N5O14 — CID 158132135

About (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one

(1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one (PubChem CID 158132135) has the molecular formula C164H163ClF3N5O14 and a molecular weight of 2520.58 g/mol. Its IUPAC name is (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one.

Molecular Properties

• Compound Name: (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one
• PubChem CID: 158132135
• Molecular Formula: C164H163ClF3N5O14
• Molecular Weight: 2520.58 g/mol
• Exact Mass: 2518.18
• IUPAC Name: (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one
• SMILES: CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc(C(F)(F)F)c2cccnc12.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1cccc2cccnc12.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1cccc2cccnc12
• InChI: InChI=1S/2C29H29NO3.C28H26F3NO2.2C27H27NO2.C24H25ClO2/c2*1-17-16-20-8-6-7-9-21(20)26(24(17)28(18(2)31)33-29(3,4)5)22-10-11-23-25-19(13-15-32-23)12-14-30-27(22)25;1-16-15-18-9-6-7-10-19(18)24(23(16)26(17(2)33)34-27(3,4)5)21-12-13-22(28(29,30)31)20-11-8-14-32-25(20)21;2*1-17-16-20-10-6-7-13-21(20)24(23(17)26(18(2)29)30-27(3,4)5)22-14-8-11-19-12-9-15-28-25(19)22;1-15-14-18-8-6-7-9-20(18)22(17-10-12-19(25)13-11-17)21(15)23(16(2)26)27-24(3,4)5/h2*6-12,14,16,28H,13,15H2,1-5H3;6-15,26H,1-5H3;2*6-16,26H,1-5H3;6-14,23H,1-5H3/t2*28-;3*26-;23-/m111111/s1
• InChIKey: FSXGWLUXSVCKIO-YNZWSUBESA-N
• XLogP: 41.85
• TPSA: 240.71 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2520.58
LogP ≤ 5	41.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one?

The IUPAC name of (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one (CID 158132135) is (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one.

What is the SMILES notation for (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one?

The canonical SMILES for (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one is CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc(C(F)(F)F)c2cccnc12.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc(Cl)cc1.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1ccc2c3c(ccnc13)CCO2.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1cccc2cccnc12.CC(=O)[C@@H](OC(C)(C)C)c1c(C)cc2ccccc2c1-c1cccc2cccnc12.

What is the InChIKey of (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one?

The InChIKey is FSXGWLUXSVCKIO-YNZWSUBESA-N. The full InChI is InChI=1S/2C29H29NO3.C28H26F3NO2.2C27H27NO2.C24H25ClO2/c2*1-17-16-20-8-6-7-9-21(20)26(24(17)28(18(2)31)33-29(3,4)5)22-10-11-23-25-19(13-15-32-23)12-14-30-27(22)25;1-16-15-18-9-6-7-10-19(18)24(23(16)26(17(2)33)34-27(3,4)5)21-12-13-22(28(29,30)31)20-11-8-14-32-25(20)21;2*1-17-16-20-10-6-7-13-21(20)24(23(17)26(18(2)29)30-27(3,4)5)22-14-8-11-19-12-9-15-28-25(19)22;1-15-14-18-8-6-7-9-20(18)22(17-10-12-19(25)13-11-17)21(15)23(16(2)26)27-24(3,4)5/h2*6-12,14,16,28H,13,15H2,1-5H3;6-15,26H,1-5H3;2*6-16,26H,1-5H3;6-14,23H,1-5H3/t2*28-;3*26-;23-/m111111/s1.

What are the key properties of (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one?

(1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one has a molecular weight of 2520.58 g/mol, XLogP of 41.85, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-[1-(4-chlorophenyl)-3-methylnaphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;bis((1S)-1-[3-methyl-1-(2-oxa-8-azatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-10-yl)naphthalen-2-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one);bis((1S)-1-[(2-methylpropan-2-yl)oxy]-1-(3-methyl-1-quinolin-8-ylnaphthalen-2-yl)propan-2-one);(1S)-1-[(2-methylpropan-2-yl)oxy]-1-[3-methyl-1-[5-(trifluoromethyl)quinolin-8-yl]naphthalen-2-yl]propan-2-one is sourced from PubChem (CID 158132135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).