5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole

C75H79Cl3N2O2 — CID 91060884

About 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole

5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole (PubChem CID 91060884) has the molecular formula C75H79Cl3N2O2 and a molecular weight of 1146.83 g/mol. Its IUPAC name is 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole.

Molecular Properties

• Compound Name: 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole
• PubChem CID: 91060884
• Molecular Formula: C75H79Cl3N2O2
• Molecular Weight: 1146.83 g/mol
• Exact Mass: 1144.52
• IUPAC Name: 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole
• SMILES: CC1(C)C(/C=C/C=C2/N(CCCOc3ccccc3)c3ccccc3C2(C)C)=C(CCCOc2ccccc2)c2ccccc21.CC1=C(C=CC2=C(Cl)C(=CC=C3N(C)c4ccc(Cl)cc4C3(C)C)CCC2)C(C)(C)c2cc(Cl)ccc21
• InChI: InChI=1S/C42H45NO2.C33H34Cl3N/c1-41(2)36-24-12-11-22-34(36)35(23-16-30-44-32-18-7-5-8-19-32)37(41)26-15-28-40-42(3,4)38-25-13-14-27-39(38)43(40)29-17-31-45-33-20-9-6-10-21-33;1-20-25-14-12-23(34)18-27(25)32(2,3)26(20)15-10-21-8-7-9-22(31(21)36)11-17-30-33(4,5)28-19-24(35)13-16-29(28)37(30)6/h5-15,18-22,24-28H,16-17,23,29-31H2,1-4H3;10-19H,7-9H2,1-6H3/b26-15+,40-28+
• InChIKey: WPGMCOZKHGCTCS-UHLATFLMSA-N
• XLogP: 20.83
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1146.83
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole?

The IUPAC name of 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole (CID 91060884) is 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole.

What is the SMILES notation for 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole?

The canonical SMILES for 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole is CC1(C)C(/C=C/C=C2/N(CCCOc3ccccc3)c3ccccc3C2(C)C)=C(CCCOc2ccccc2)c2ccccc21.CC1=C(C=CC2=C(Cl)C(=CC=C3N(C)c4ccc(Cl)cc4C3(C)C)CCC2)C(C)(C)c2cc(Cl)ccc21.

What is the InChIKey of 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole?

The InChIKey is WPGMCOZKHGCTCS-UHLATFLMSA-N. The full InChI is InChI=1S/C42H45NO2.C33H34Cl3N/c1-41(2)36-24-12-11-22-34(36)35(23-16-30-44-32-18-7-5-8-19-32)37(41)26-15-28-40-42(3,4)38-25-13-14-27-39(38)43(40)29-17-31-45-33-20-9-6-10-21-33;1-20-25-14-12-23(34)18-27(25)32(2,3)26(20)15-10-21-8-7-9-22(31(21)36)11-17-30-33(4,5)28-19-24(35)13-16-29(28)37(30)6/h5-15,18-22,24-28H,16-17,23,29-31H2,1-4H3;10-19H,7-9H2,1-6H3/b26-15+,40-28+;.

What are the key properties of 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole?

5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole has a molecular weight of 1146.83 g/mol, XLogP of 20.83, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[2-[2-chloro-3-[2-(6-chloro-1,1,3-trimethylinden-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;(2E)-2-[(E)-3-[1,1-dimethyl-3-(3-phenoxypropyl)inden-2-yl]prop-2-enylidene]-3,3-dimethyl-1-(3-phenoxypropyl)indole is sourced from PubChem (CID 91060884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).