(2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

C34H26N2O6 — CID 125122831

About (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione

(2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (PubChem CID 125122831) has the molecular formula C34H26N2O6 and a molecular weight of 558.59 g/mol. Its IUPAC name is (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

Molecular Properties

• Compound Name: (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• PubChem CID: 125122831
• Molecular Formula: C34H26N2O6
• Molecular Weight: 558.59 g/mol
• Exact Mass: 558.18
• IUPAC Name: (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
• SMILES: COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](c3ccccc3OCc3ccccn3)CC(=O)O4)C1=O)cn2C
• InChI: InChI=1S/C34H26N2O6/c1-36-18-20(25-16-22(39-2)10-12-27(25)36)15-30-33(38)24-11-13-29-32(34(24)42-30)26(17-31(37)41-29)23-8-3-4-9-28(23)40-19-21-7-5-6-14-35-21/h3-16,18,26H,17,19H2,1-2H3/b30-15-/t26-/m0/s1
• InChIKey: QKRCWOKKOFFQPJ-GRXZTXSZSA-N
• XLogP: 6.22
• TPSA: 88.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.59
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The IUPAC name of (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione (CID 125122831) is (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione.

What is the SMILES notation for (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The canonical SMILES for (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](c3ccccc3OCc3ccccn3)CC(=O)O4)C1=O)cn2C.

What is the InChIKey of (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

The InChIKey is QKRCWOKKOFFQPJ-GRXZTXSZSA-N. The full InChI is InChI=1S/C34H26N2O6/c1-36-18-20(25-16-22(39-2)10-12-27(25)36)15-30-33(38)24-11-13-29-32(34(24)42-30)26(17-31(37)41-29)23-8-3-4-9-28(23)40-19-21-7-5-6-14-35-21/h3-16,18,26H,17,19H2,1-2H3/b30-15-/t26-/m0/s1.

What are the key properties of (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione?

(2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione has a molecular weight of 558.59 g/mol, XLogP of 6.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,9S)-2-[(5-methoxy-1-methylindol-3-yl)methylidene]-9-[2-(pyridin-2-ylmethoxy)phenyl]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione is sourced from PubChem (CID 125122831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).