5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole

C₂₆H₂₄N₂O₃ — CID 11750269

About 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole

5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole (PubChem CID 11750269) has the molecular formula C₂₆H₂₄N₂O₃ and a molecular weight of 412.49 g/mol. Its IUPAC name is 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole.

Molecular Properties

• Compound Name: 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole
• PubChem CID: 11750269
• Molecular Formula: C₂₆H₂₄N₂O₃
• Molecular Weight: 412.49 g/mol
• Exact Mass: 412.18
• IUPAC Name: 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole
• SMILES: COc1ccc(C(c2c[nH]c3ccc(OC)cc23)c2c[nH]c3ccc(OC)cc23)cc1
• InChI: InChI=1S/C26H24N2O3/c1-29-17-6-4-16(5-7-17)26(22-14-27-24-10-8-18(30-2)12-20(22)24)23-15-28-25-11-9-19(31-3)13-21(23)25/h4-15,26-28H,1-3H3
• InChIKey: QODURDJPXAAZTL-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 59.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.49
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole?

The IUPAC name of 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole (CID 11750269) is 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole.

What is the SMILES notation for 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole?

The canonical SMILES for 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole is COc1ccc(C(c2c[nH]c3ccc(OC)cc23)c2c[nH]c3ccc(OC)cc23)cc1.

What is the InChIKey of 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole?

The InChIKey is QODURDJPXAAZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-29-17-6-4-16(5-7-17)26(22-14-27-24-10-8-18(30-2)12-20(22)24)23-15-28-25-11-9-19(31-3)13-21(23)25/h4-15,26-28H,1-3H3.

What are the key properties of 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole?

5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole has a molecular weight of 412.49 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 11750269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11750269 — identifiers, structure, computed properties (public domain)

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