6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole

C25H25NO5 — CID 10202218

IUPAC6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2[nH]c3cc(OC)ccc3c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H25NO5/c1-27-17-8-6-15(7-9-17)24-23(19-11-10-18(28-2)14-20(19)26-24)16-12-21(29-3)25(31-5)22(13-16)30-4/h6-14,26H,1-5H3
InChIKeyUNHAAYJZPGBHFF-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.54
Rot. Bonds7

About 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole

6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole (PubChem CID 10202218) has the molecular formula C25H25NO5 and a molecular weight of 419.48 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole
PubChem CID10202218
Molecular FormulaC25H25NO5
Molecular Weight419.48 g/mol
Exact Mass419.17
IUPAC Name6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2[nH]c3cc(OC)ccc3c2-c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C25H25NO5/c1-27-17-8-6-15(7-9-17)24-23(19-11-10-18(28-2)14-20(19)26-24)16-12-21(29-3)25(31-5)22(13-16)30-4/h6-14,26H,1-5H3
InChIKeyUNHAAYJZPGBHFF-UHFFFAOYSA-N
XLogP5.54
TPSA61.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole?
The IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole (CID 10202218) is 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole.
What is the SMILES notation for 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole?
The canonical SMILES for 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole is COc1ccc(-c2[nH]c3cc(OC)ccc3c2-c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole?
The InChIKey is UNHAAYJZPGBHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO5/c1-27-17-8-6-15(7-9-17)24-23(19-11-10-18(28-2)14-20(19)26-24)16-12-21(29-3)25(31-5)22(13-16)30-4/h6-14,26H,1-5H3.
What are the key properties of 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole?
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole has a molecular weight of 419.48 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-indole is sourced from PubChem (CID 10202218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).