3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol

C26H21N3O2 — CID 137274031

IUPAC3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol
SMILESCOc1ccc2c(c1)c(C1=Nc3ccccc3C1c1c[nH]c3ccccc13)c(O)n2C
InChIInChI=1S/C26H21N3O2/c1-29-22-12-11-15(31-2)13-18(22)24(26(29)30)25-23(17-8-4-6-10-21(17)28-25)19-14-27-20-9-5-3-7-16(19)20/h3-14,23,27,30H,1-2H3
InChIKeyWPRQMKLNRQMHOP-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.64
Rot. Bonds3

About 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol

3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol (PubChem CID 137274031) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol.

Molecular Properties

Compound Name3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol
PubChem CID137274031
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol
SMILESCOc1ccc2c(c1)c(C1=Nc3ccccc3C1c1c[nH]c3ccccc13)c(O)n2C
InChIInChI=1S/C26H21N3O2/c1-29-22-12-11-15(31-2)13-18(22)24(26(29)30)25-23(17-8-4-6-10-21(17)28-25)19-14-27-20-9-5-3-7-16(19)20/h3-14,23,27,30H,1-2H3
InChIKeyWPRQMKLNRQMHOP-UHFFFAOYSA-N
XLogP5.64
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol
CID 137274032
bis(2-methoxy-5-methyl-6H-indeno[2,3-b]indol-6-yl)-dimethylsilane
CID 22722362
1-(1H-indol-3-yl)-7-methoxynaphthalen-2-ol
CID 142739880
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
3-(5-methoxy-1H-indol-3-yl)-1-methylpyrrolidine-2,2,5,5-tetrol
CID 167471754
3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 134818183
(4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
CID 135708168
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
5-(5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84742295
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816
2-[(1R)-1-(1H-indol-3-yl)-1-(4-methoxyphenyl)ethyl]-5-methoxyphenol
CID 102503116
2-(1H-indol-3-yl)-6-methoxyquinoline
CID 18729469

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol?
The IUPAC name of 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol (CID 137274031) is 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol.
What is the SMILES notation for 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol?
The canonical SMILES for 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol is COc1ccc2c(c1)c(C1=Nc3ccccc3C1c1c[nH]c3ccccc13)c(O)n2C.
What is the InChIKey of 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol?
The InChIKey is WPRQMKLNRQMHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-29-22-12-11-15(31-2)13-18(22)24(26(29)30)25-23(17-8-4-6-10-21(17)28-25)19-14-27-20-9-5-3-7-16(19)20/h3-14,23,27,30H,1-2H3.
What are the key properties of 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol?
3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol has a molecular weight of 407.47 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol is sourced from PubChem (CID 137274031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).