3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole

C66H54F9N3OS — CID 139394506

About 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole

3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole (PubChem CID 139394506) has the molecular formula C66H54F9N3OS and a molecular weight of 1108.23 g/mol. Its IUPAC name is 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole.

Molecular Properties

• Compound Name: 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole
• PubChem CID: 139394506
• Molecular Formula: C66H54F9N3OS
• Molecular Weight: 1108.23 g/mol
• Exact Mass: 1107.38
• IUPAC Name: 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole
• SMILES: Cc1ccc2c(C(CC(F)(F)F)c3cc(-c4c(C)ccc5c(C(CC(F)(F)F)c6cc(-c7c(C)ccc8c(C(CC9CC9)CC(F)(F)F)c(-c9ccccc9)[nH]c78)cs6)c(-c6ccccc6)[nH]c45)co3)c(-c3ccccc3)[nH]c2c1
• InChI: InChI=1S/C66H54F9N3OS/c1-36-19-24-46-51(27-36)76-60(41-15-9-5-10-16-41)57(46)49(32-65(70,71)72)52-29-44(34-79-52)54-37(2)21-26-48-58(61(78-63(48)54)42-17-11-6-12-18-42)50(33-66(73,74)75)53-30-45(35-80-53)55-38(3)20-25-47-56(43(28-39-22-23-39)31-64(67,68)69)59(77-62(47)55)40-13-7-4-8-14-40/h4-21,24-27,29-30,34-35,39,43,49-50,76-78H,22-23,28,31-33H2,1-3H3
• InChIKey: QMHTTXWABKANMT-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 60.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 15
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1108.23
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole?

The IUPAC name of 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole (CID 139394506) is 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole.

What is the SMILES notation for 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole?

The canonical SMILES for 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole is Cc1ccc2c(C(CC(F)(F)F)c3cc(-c4c(C)ccc5c(C(CC(F)(F)F)c6cc(-c7c(C)ccc8c(C(CC9CC9)CC(F)(F)F)c(-c9ccccc9)[nH]c78)cs6)c(-c6ccccc6)[nH]c45)co3)c(-c3ccccc3)[nH]c2c1.

What is the InChIKey of 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole?

The InChIKey is QMHTTXWABKANMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H54F9N3OS/c1-36-19-24-46-51(27-36)76-60(41-15-9-5-10-16-41)57(46)49(32-65(70,71)72)52-29-44(34-79-52)54-37(2)21-26-48-58(61(78-63(48)54)42-17-11-6-12-18-42)50(33-66(73,74)75)53-30-45(35-80-53)55-38(3)20-25-47-56(43(28-39-22-23-39)31-64(67,68)69)59(77-62(47)55)40-13-7-4-8-14-40/h4-21,24-27,29-30,34-35,39,43,49-50,76-78H,22-23,28,31-33H2,1-3H3.

What are the key properties of 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole?

3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole has a molecular weight of 1108.23 g/mol, XLogP of 21.05, 15 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-cyclopropyl-4,4,4-trifluorobutan-2-yl)-6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-[6-methyl-2-phenyl-7-[5-[3,3,3-trifluoro-1-(6-methyl-2-phenyl-1H-indol-3-yl)propyl]furan-3-yl]-1H-indol-3-yl]propyl]thiophen-3-yl]-1H-indole is sourced from PubChem (CID 139394506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).