3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol

C21H17N3O2 — CID 91429863

IUPAC3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
SMILESCn1c(O)c(-c2c[nH]c3ccccc23)c(-c2c[nH]c3ccccc23)c1O
InChIInChI=1S/C21H17N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23,25-26H,1H3
InChIKeyRPWBCJWJUPEJSQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.73
Rot. Bonds2

About 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol

3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol (PubChem CID 91429863) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
PubChem CID91429863
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
SMILESCn1c(O)c(-c2c[nH]c3ccccc23)c(-c2c[nH]c3ccccc23)c1O
InChIInChI=1S/C21H17N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23,25-26H,1H3
InChIKeyRPWBCJWJUPEJSQ-UHFFFAOYSA-N
XLogP4.73
TPSA76.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione
CID 2400
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
2-(1H-indol-3-yl)aniline
CID 25210227
4-hydroxy-2-(1H-indol-3-yl)-3-methoxybenzonitrile
CID 15425105
methane;3-phenyl-1H-indole
CID 167711687
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
1-(1H-indol-3-yl)-7-methoxynaphthalen-2-ol
CID 142739880
2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid
CID 82488540
4-(1H-indol-3-yl)-5-methoxy-2-methyl-6-propan-2-ylpyridazin-3-one
CID 136646208
4,5-bis(1H-indol-3-yl)-1,2-dihydropyrazol-3-one
CID 127051436
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol
CID 137274032

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol?
The IUPAC name of 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol (CID 91429863) is 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol.
What is the SMILES notation for 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol?
The canonical SMILES for 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol is Cn1c(O)c(-c2c[nH]c3ccccc23)c(-c2c[nH]c3ccccc23)c1O.
What is the InChIKey of 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol?
The InChIKey is RPWBCJWJUPEJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23,25-26H,1H3.
What are the key properties of 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol?
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol has a molecular weight of 343.39 g/mol, XLogP of 4.73, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol is sourced from PubChem (CID 91429863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).