2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium

C101H130F6N12S2+6 — CID 158451738

About 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium

2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium (PubChem CID 158451738) has the molecular formula C101H130F6N12S2+6 and a molecular weight of 1690.36 g/mol. Its IUPAC name is 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium.

Molecular Properties

• Compound Name: 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium
• PubChem CID: 158451738
• Molecular Formula: C101H130F6N12S2+6
• Molecular Weight: 1690.36 g/mol
• Exact Mass: 1688.99
• IUPAC Name: 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium
• SMILES: CN(C)/C=C/C1[NH+](CCCCCN2C(=CC=[N+](C)C)C(C)(C)c3cc(C(F)(F)F)ccc32)c2ccc(C(F)(F)F)cc2C1(C)C.C[N+](C)=CC=C1N(CCCCCN2C(=CC=[N+](C)C)C(C)(C)c3ccccc32)c2ccccc2C1(C)C.Cn1cc(/C=C/C2=[N+](CCCCC[N+]3=C(/C=C/c4cn(C)c5ccccc45)SCC3)CCS2)c2ccccc21
• InChI: InChI=1S/C35H45F6N4.C33H38N4S2.C33H46N4/c1-32(2)26-22-24(34(36,37)38)12-14-28(26)44(30(32)16-20-42(5)6)18-10-9-11-19-45-29-15-13-25(35(39,40)41)23-27(29)33(3,4)31(45)17-21-43(7)8;1-34-24-26(28-10-4-6-12-30(28)34)14-16-32-36(20-22-38-32)18-8-3-9-19-37-21-23-39-33(37)17-15-27-25-35(2)31-13-7-5-11-29(27)31;1-32(2)26-16-10-12-18-28(26)36(30(32)20-24-34(5)6)22-14-9-15-23-37-29-19-13-11-17-27(29)33(3,4)31(37)21-25-35(7)8/h12-17,20-23,30H,9-11,18-19H2,1-8H3;4-7,10-17,24-25H,3,8-9,18-23H2,1-2H3;10-13,16-21,24-25H,9,14-15,22-23H2,1-8H3/q+1;2*+2/p+1/b20-16+
• InChIKey: HEBUXWROAODBAL-SDXCCTRSSA-O
• XLogP: 20.26
• TPSA: 42.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 27
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1690.36
LogP ≤ 5	20.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium?

The IUPAC name of 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium (CID 158451738) is 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium.

What is the SMILES notation for 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium?

The canonical SMILES for 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium is CN(C)/C=C/C1[NH+](CCCCCN2C(=CC=[N+](C)C)C(C)(C)c3cc(C(F)(F)F)ccc32)c2ccc(C(F)(F)F)cc2C1(C)C.C[N+](C)=CC=C1N(CCCCCN2C(=CC=[N+](C)C)C(C)(C)c3ccccc32)c2ccccc2C1(C)C.Cn1cc(/C=C/C2=[N+](CCCCC[N+]3=C(/C=C/c4cn(C)c5ccccc45)SCC3)CCS2)c2ccccc21.

What is the InChIKey of 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium?

The InChIKey is HEBUXWROAODBAL-SDXCCTRSSA-O. The full InChI is InChI=1S/C35H45F6N4.C33H38N4S2.C33H46N4/c1-32(2)26-22-24(34(36,37)38)12-14-28(26)44(30(32)16-20-42(5)6)18-10-9-11-19-45-29-15-13-25(35(39,40)41)23-27(29)33(3,4)31(45)17-21-43(7)8;1-34-24-26(28-10-4-6-12-30(28)34)14-16-32-36(20-22-38-32)18-8-3-9-19-37-21-23-39-33(37)17-15-27-25-35(2)31-13-7-5-11-29(27)31;1-32(2)26-16-10-12-18-28(26)36(30(32)20-24-34(5)6)22-14-9-15-23-37-29-19-13-11-17-27(29)33(3,4)31(37)21-25-35(7)8/h12-17,20-23,30H,9-11,18-19H2,1-8H3;4-7,10-17,24-25H,3,8-9,18-23H2,1-2H3;10-13,16-21,24-25H,9,14-15,22-23H2,1-8H3/q+1;2*+2/p+1/b20-16+;;.

What are the key properties of 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium?

2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium has a molecular weight of 1690.36 g/mol, XLogP of 20.26, 27 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[5-[2-[(E)-2-(dimethylamino)ethenyl]-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroindol-1-ium-1-yl]pentyl]-3,3-dimethyl-5-(trifluoromethyl)indol-2-ylidene]ethylidene-dimethylazanium;2-[1-[5-[2-(2-dimethylazaniumylideneethylidene)-3,3-dimethylindol-1-yl]pentyl]-3,3-dimethylindol-2-ylidene]ethylidene-dimethylazanium;2-[(E)-2-(1-methylindol-3-yl)ethenyl]-3-[5-[2-[(E)-2-(1-methylindol-3-yl)ethenyl]-4,5-dihydro-1,3-thiazol-3-ium-3-yl]pentyl]-4,5-dihydro-1,3-thiazol-3-ium is sourced from PubChem (CID 158451738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).