(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole

C48H44F18N2S — CID 89181288

About (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole

(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole (PubChem CID 89181288) has the molecular formula C48H44F18N2S and a molecular weight of 1022.92 g/mol. Its IUPAC name is (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole.

Molecular Properties

• Compound Name: (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole
• PubChem CID: 89181288
• Molecular Formula: C48H44F18N2S
• Molecular Weight: 1022.92 g/mol
• Exact Mass: 1022.29
• IUPAC Name: (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole
• SMILES: CC1(C)/C(=C\C=C2/CCCC(/C=C/C3N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c4ccccc4C3(C)C)=C2Sc2ccccc2)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21
• InChI: InChI=1S/C48H44F18N2S/c1-39(2)32-17-8-10-19-34(32)67(27-25-41(49,50)43(53,54)45(57,58)47(61,62)63)36(39)23-21-29-13-12-14-30(38(29)69-31-15-6-5-7-16-31)22-24-37-40(3,4)33-18-9-11-20-35(33)68(37)28-26-42(51,52)44(55,56)46(59,60)48(64,65)66/h5-11,15-24,36H,12-14,25-28H2,1-4H3/b23-21+,30-22+,37-24+
• InChIKey: FCRBVMAMTJJAJG-LHQCSXKSSA-N
• XLogP: 16.26
• TPSA: 6.48 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1022.92
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole?

The IUPAC name of (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole (CID 89181288) is (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole.

What is the SMILES notation for (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole?

The canonical SMILES for (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole is CC1(C)/C(=C\C=C2/CCCC(/C=C/C3N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c4ccccc4C3(C)C)=C2Sc2ccccc2)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2ccccc21.

What is the InChIKey of (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole?

The InChIKey is FCRBVMAMTJJAJG-LHQCSXKSSA-N. The full InChI is InChI=1S/C48H44F18N2S/c1-39(2)32-17-8-10-19-34(32)67(27-25-41(49,50)43(53,54)45(57,58)47(61,62)63)36(39)23-21-29-13-12-14-30(38(29)69-31-15-6-5-7-16-31)22-24-37-40(3,4)33-18-9-11-20-35(33)68(37)28-26-42(51,52)44(55,56)46(59,60)48(64,65)66/h5-11,15-24,36H,12-14,25-28H2,1-4H3/b23-21+,30-22+,37-24+.

What are the key properties of (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole?

(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole has a molecular weight of 1022.92 g/mol, XLogP of 16.26, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2H-indol-2-yl]ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)indole is sourced from PubChem (CID 89181288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).