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

C26H24N2O3 — CID 11750269

IUPAC5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c[nH]c3ccc(OC)cc23)c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=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
InChIKeyQODURDJPXAAZTL-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.86
Rot. Bonds6

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 Name5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole
PubChem CID11750269
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name5-methoxy-3-[(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c[nH]c3ccc(OC)cc23)c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=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
InChIKeyQODURDJPXAAZTL-UHFFFAOYSA-N
XLogP5.86
TPSA59.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).