(2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole]

C40H55NO — CID 144615714

About (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole]

(2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole] (PubChem CID 144615714) has the molecular formula C40H55NO and a molecular weight of 565.89 g/mol. Its IUPAC name is (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole].

Molecular Properties

• Compound Name: (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole]
• PubChem CID: 144615714
• Molecular Formula: C40H55NO
• Molecular Weight: 565.89 g/mol
• Exact Mass: 565.43
• IUPAC Name: (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole]
• SMILES: C=C(/C=C/C=C1\N(CCCCC)c2ccccc2C12CCCCC2)C1(c2ccccc2OCCCCC)CCCCC1
• InChI: InChI=1S/C40H55NO/c1-4-6-18-31-41-36-24-12-10-22-34(36)40(29-16-9-17-30-40)38(41)26-20-21-33(3)39(27-14-8-15-28-39)35-23-11-13-25-37(35)42-32-19-7-5-2/h10-13,20-26H,3-9,14-19,27-32H2,1-2H3/b21-20+,38-26-
• InChIKey: PANRQEKFJODSFM-AMGBLQGXSA-N
• XLogP: 11.37
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.89
LogP ≤ 5	11.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole]?

The IUPAC name of (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole] (CID 144615714) is (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole].

What is the SMILES notation for (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole]?

The canonical SMILES for (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole] is C=C(/C=C/C=C1\N(CCCCC)c2ccccc2C12CCCCC2)C1(c2ccccc2OCCCCC)CCCCC1.

What is the InChIKey of (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole]?

The InChIKey is PANRQEKFJODSFM-AMGBLQGXSA-N. The full InChI is InChI=1S/C40H55NO/c1-4-6-18-31-41-36-24-12-10-22-34(36)40(29-16-9-17-30-40)38(41)26-20-21-33(3)39(27-14-8-15-28-39)35-23-11-13-25-37(35)42-32-19-7-5-2/h10-13,20-26H,3-9,14-19,27-32H2,1-2H3/b21-20+,38-26-.

What are the key properties of (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole]?

(2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole] has a molecular weight of 565.89 g/mol, XLogP of 11.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2'Z)-2'-[(2E)-4-[1-(2-pentoxyphenyl)cyclohexyl]penta-2,4-dienylidene]-1'-pentylspiro[cyclohexane-1,3'-indole] is sourced from PubChem (CID 144615714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).