3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole

C153H170F9N6O2+3 — CID 157084387

About 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole

3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole (PubChem CID 157084387) has the molecular formula C153H170F9N6O2+3 and a molecular weight of 2296.06 g/mol. Its IUPAC name is 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole.

Molecular Properties

• Compound Name: 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole
• PubChem CID: 157084387
• Molecular Formula: C153H170F9N6O2+3
• Molecular Weight: 2296.06 g/mol
• Exact Mass: 2294.32
• IUPAC Name: 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole
• SMILES: Cc1ccc2c(c1)C(C)(Cc1ccccc1)C(=CC=CC1=[N+](CCC(C)C)c3ccc(C(F)(F)F)cc3C1(C)Cc1ccccc1)N2CCC(C)C.Cc1ccc2c(c1)C(C)(Cc1ccccc1)C(=CC=CC1=[N+](CCc3ccc(OC(C)C)cc3)c3ccc(C(F)(F)F)cc3C1(C)Cc1ccccc1)N2CCc1ccc(OC(C)C)cc1.Cc1ccc2c(c1)C(Cc1ccccc1)(Cc1ccccc1)C(=CC=CC1=[N+](CCC(C)C)c3ccc(C(F)(F)F)cc3C1(C)C)N2CCC(C)C
• InChI: InChI=1S/C59H62F3N2O2.2C47H54F3N2/c1-41(2)65-49-27-22-44(23-28-49)33-35-63-53-31-21-43(5)37-51(53)57(6,39-46-15-10-8-11-16-46)55(63)19-14-20-56-58(7,40-47-17-12-9-13-18-47)52-38-48(59(60,61)62)26-32-54(52)64(56)36-34-45-24-29-50(30-25-45)66-42(3)4;1-33(2)25-27-51-41-24-22-38(47(48,49)50)30-39(41)45(6,7)43(51)19-14-20-44-46(31-36-15-10-8-11-16-36,32-37-17-12-9-13-18-37)40-29-35(5)21-23-42(40)52(44)28-26-34(3)4;1-33(2)25-27-51-41-23-21-35(5)29-39(41)45(6,31-36-15-10-8-11-16-36)43(51)19-14-20-44-46(7,32-37-17-12-9-13-18-37)40-30-38(47(48,49)50)22-24-42(40)52(44)28-26-34(3)4/h8-32,37-38,41-42H,33-36,39-40H2,1-7H3;2*8-24,29-30,33-34H,25-28,31-32H2,1-7H3/q3*+1
• InChIKey: ADXOYXJUFCGMAU-UHFFFAOYSA-N
• XLogP: 38.46
• TPSA: 37.21 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 40
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2296.06
LogP ≤ 5	38.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole?

The IUPAC name of 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole (CID 157084387) is 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole.

What is the SMILES notation for 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole?

The canonical SMILES for 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole is Cc1ccc2c(c1)C(C)(Cc1ccccc1)C(=CC=CC1=[N+](CCC(C)C)c3ccc(C(F)(F)F)cc3C1(C)Cc1ccccc1)N2CCC(C)C.Cc1ccc2c(c1)C(C)(Cc1ccccc1)C(=CC=CC1=[N+](CCc3ccc(OC(C)C)cc3)c3ccc(C(F)(F)F)cc3C1(C)Cc1ccccc1)N2CCc1ccc(OC(C)C)cc1.Cc1ccc2c(c1)C(Cc1ccccc1)(Cc1ccccc1)C(=CC=CC1=[N+](CCC(C)C)c3ccc(C(F)(F)F)cc3C1(C)C)N2CCC(C)C.

What is the InChIKey of 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole?

The InChIKey is ADXOYXJUFCGMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H62F3N2O2.2C47H54F3N2/c1-41(2)65-49-27-22-44(23-28-49)33-35-63-53-31-21-43(5)37-51(53)57(6,39-46-15-10-8-11-16-46)55(63)19-14-20-56-58(7,40-47-17-12-9-13-18-47)52-38-48(59(60,61)62)26-32-54(52)64(56)36-34-45-24-29-50(30-25-45)66-42(3)4;1-33(2)25-27-51-41-24-22-38(47(48,49)50)30-39(41)45(6,7)43(51)19-14-20-44-46(31-36-15-10-8-11-16-36,32-37-17-12-9-13-18-37)40-29-35(5)21-23-42(40)52(44)28-26-34(3)4;1-33(2)25-27-51-41-23-21-35(5)29-39(41)45(6,31-36-15-10-8-11-16-36)43(51)19-14-20-44-46(7,32-37-17-12-9-13-18-37)40-30-38(47(48,49)50)22-24-42(40)52(44)28-26-34(3)4/h8-32,37-38,41-42H,33-36,39-40H2,1-7H3;2*8-24,29-30,33-34H,25-28,31-32H2,1-7H3/q3*+1.

What are the key properties of 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole?

3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole has a molecular weight of 2296.06 g/mol, XLogP of 38.46, 40 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-(3-methylbutyl)indol-2-ylidene]prop-1-enyl]-3-methyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium;3-benzyl-2-[3-[3-benzyl-3,5-dimethyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]indol-2-ylidene]prop-1-enyl]-3-methyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]-5-(trifluoromethyl)indol-1-ium;3,3-dibenzyl-2-[3-[3,3-dimethyl-1-(3-methylbutyl)-5-(trifluoromethyl)indol-1-ium-2-yl]prop-2-enylidene]-5-methyl-1-(3-methylbutyl)indole is sourced from PubChem (CID 157084387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).