3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol

C94H74F12N6O8 — CID 158970179

About 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol

3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol (PubChem CID 158970179) has the molecular formula C94H74F12N6O8 and a molecular weight of 1643.64 g/mol. Its IUPAC name is 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol.

Molecular Properties

• Compound Name: 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol
• PubChem CID: 158970179
• Molecular Formula: C94H74F12N6O8
• Molecular Weight: 1643.64 g/mol
• Exact Mass: 1642.54
• IUPAC Name: 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol
• SMILES: C=CCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccccc12.C=CCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccccc12.OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12
• InChI: InChI=1S/C24H20F3NO3.C24H18F3NO.C23H19F3N2O3.C23H17F3N2O/c25-24(26,27)17-5-9-20(10-6-17)31-21-11-7-18(8-12-21)28-14-16(13-19(30)15-29)22-3-1-2-4-23(22)28;1-2-5-17-16-28(23-7-4-3-6-22(17)23)19-10-14-21(15-11-19)29-20-12-8-18(9-13-20)24(25,26)27;24-23(25,26)16-5-10-22(27-12-16)31-19-8-6-17(7-9-19)28-13-15(11-18(30)14-29)20-3-1-2-4-21(20)28;1-2-5-16-15-28(21-7-4-3-6-20(16)21)18-9-11-19(12-10-18)29-22-13-8-17(14-27-22)23(24,25)26/h1-12,14,19,29-30H,13,15H2;2-4,6-16H,1,5H2;1-10,12-13,18,29-30H,11,14H2;2-4,6-15H,1,5H2/t19-;;18-;/m0.0./s1
• InChIKey: JNSDMYCGNXGFCD-XUTMIVSASA-N
• XLogP: 23.80
• TPSA: 163.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 22
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1643.64
LogP ≤ 5	23.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol?

The IUPAC name of 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol (CID 158970179) is 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol.

What is the SMILES notation for 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol?

The canonical SMILES for 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol is C=CCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccccc12.C=CCc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)c2ccccc12.OC[C@@H](O)Cc1cn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12.

What is the InChIKey of 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol?

The InChIKey is JNSDMYCGNXGFCD-XUTMIVSASA-N. The full InChI is InChI=1S/C24H20F3NO3.C24H18F3NO.C23H19F3N2O3.C23H17F3N2O/c25-24(26,27)17-5-9-20(10-6-17)31-21-11-7-18(8-12-21)28-14-16(13-19(30)15-29)22-3-1-2-4-23(22)28;1-2-5-17-16-28(23-7-4-3-6-22(17)23)19-10-14-21(15-11-19)29-20-12-8-18(9-13-20)24(25,26)27;24-23(25,26)16-5-10-22(27-12-16)31-19-8-6-17(7-9-19)28-13-15(11-18(30)14-29)20-3-1-2-4-21(20)28;1-2-5-16-15-28(21-7-4-3-6-20(16)21)18-9-11-19(12-10-18)29-22-13-8-17(14-27-22)23(24,25)26/h1-12,14,19,29-30H,13,15H2;2-4,6-16H,1,5H2;1-10,12-13,18,29-30H,11,14H2;2-4,6-15H,1,5H2/t19-;;18-;/m0.0./s1.

What are the key properties of 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol?

3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol has a molecular weight of 1643.64 g/mol, XLogP of 23.80, 22 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 3-prop-2-enyl-1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indole;3-prop-2-enyl-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indole;(2S)-3-[1-[4-[4-(trifluoromethyl)phenoxy]phenyl]indol-3-yl]propane-1,2-diol;(2S)-3-[1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]indol-3-yl]propane-1,2-diol is sourced from PubChem (CID 158970179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).