2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole

C34H41ClN2 — CID 163149464

About 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole

2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole (PubChem CID 163149464) has the molecular formula C34H41ClN2 and a molecular weight of 513.17 g/mol. Its IUPAC name is 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole.

Molecular Properties

• Compound Name: 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole
• PubChem CID: 163149464
• Molecular Formula: C34H41ClN2
• Molecular Weight: 513.17 g/mol
• Exact Mass: 512.30
• IUPAC Name: 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole
• SMILES: Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCCC(C=CC3N(C)c4ccc(C)cc4C3(C)C)=C1Cl)N2C
• InChI: InChI=1S/C34H41ClN2/c1-22-12-16-28-26(20-22)33(3,4)30(36(28)7)18-14-24-10-9-11-25(32(24)35)15-19-31-34(5,6)27-21-23(2)13-17-29(27)37(31)8/h12-21,30H,9-11H2,1-8H3
• InChIKey: MUNBZEIGQNQHCY-UHFFFAOYSA-N
• XLogP: 8.87
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.17
LogP ≤ 5	8.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole?

The IUPAC name of 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole (CID 163149464) is 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole.

What is the SMILES notation for 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole?

The canonical SMILES for 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole is Cc1ccc2c(c1)C(C)(C)C(=CC=C1CCCC(C=CC3N(C)c4ccc(C)cc4C3(C)C)=C1Cl)N2C.

What is the InChIKey of 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole?

The InChIKey is MUNBZEIGQNQHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41ClN2/c1-22-12-16-28-26(20-22)33(3,4)30(36(28)7)18-14-24-10-9-11-25(32(24)35)15-19-31-34(5,6)27-21-23(2)13-17-29(27)37(31)8/h12-21,30H,9-11H2,1-8H3.

What are the key properties of 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole?

2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole has a molecular weight of 513.17 g/mol, XLogP of 8.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-chloro-3-[2-(1,3,3,5-tetramethyl-2H-indol-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3,5-tetramethylindole is sourced from PubChem (CID 163149464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).