(2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole

C32H37N2O+ — CID 44669407

About (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole

(2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole (PubChem CID 44669407) has the molecular formula C32H37N2O+ and a molecular weight of 465.66 g/mol. Its IUPAC name is (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole.

Molecular Properties

• Compound Name: (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole
• PubChem CID: 44669407
• Molecular Formula: C32H37N2O+
• Molecular Weight: 465.66 g/mol
• Exact Mass: 465.29
• IUPAC Name: (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole
• SMILES: COC1=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)CC/C1=C\C=C1\N(C)c2ccccc2C1(C)C
• InChI: InChI=1S/C32H37N2O/c1-31(2)24-12-8-10-14-26(24)33(5)28(31)20-18-22-16-17-23(30(22)35-7)19-21-29-32(3,4)25-13-9-11-15-27(25)34(29)6/h8-15,18-21H,16-17H2,1-7H3/q+1
• InChIKey: QGTPUTLXIOHHJT-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 15.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.66
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole?

The IUPAC name of (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole (CID 44669407) is (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole.

What is the SMILES notation for (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole?

The canonical SMILES for (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole is COC1=C(/C=C/C2=[N+](C)c3ccccc3C2(C)C)CC/C1=C\C=C1\N(C)c2ccccc2C1(C)C.

What is the InChIKey of (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole?

The InChIKey is QGTPUTLXIOHHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N2O/c1-31(2)24-12-8-10-14-26(24)33(5)28(31)20-18-22-16-17-23(30(22)35-7)19-21-29-32(3,4)25-13-9-11-15-27(25)34(29)6/h8-15,18-21H,16-17H2,1-7H3/q+1.

What are the key properties of (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole?

(2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole has a molecular weight of 465.66 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-[(2E)-2-[2-methoxy-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole is sourced from PubChem (CID 44669407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).