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

C25H19N3O — CID 137274032

IUPAC3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol
SMILESCn1c(O)c(C2=Nc3ccccc3C2c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C25H19N3O/c1-28-21-13-7-4-10-17(21)23(25(28)29)24-22(16-9-3-6-12-20(16)27-24)18-14-26-19-11-5-2-8-15(18)19/h2-14,22,26,29H,1H3
InChIKeyHCXBEOVQAVYZDX-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.63
Rot. Bonds2

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

3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol (PubChem CID 137274032) has the molecular formula C25H19N3O and a molecular weight of 377.45 g/mol. Its IUPAC name is 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol.

Molecular Properties

Compound Name3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol
PubChem CID137274032
Molecular FormulaC25H19N3O
Molecular Weight377.45 g/mol
Exact Mass377.15
IUPAC Name3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol
SMILESCn1c(O)c(C2=Nc3ccccc3C2c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C25H19N3O/c1-28-21-13-7-4-10-17(21)23(25(28)29)24-22(16-9-3-6-12-20(16)27-24)18-14-26-19-11-5-2-8-15(18)19/h2-14,22,26,29H,1H3
InChIKeyHCXBEOVQAVYZDX-UHFFFAOYSA-N
XLogP5.63
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-5-methoxy-1-methylindol-2-ol
CID 137274031
3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-diol
CID 91429863
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
1-methyl-3-(5-naphthalen-1-yl-4,5-dihydro-1,3-oxazol-2-yl)indol-2-ol
CID 135697474
3-[2-(1H-indol-3-yl)ethyliminomethyl]-1-methylindol-2-ol
CID 136935313
3-(1H-indol-3-yl)oxiran-2-ol
CID 123804780
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
8-(1H-indol-3-yl)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,9,12,14-heptaene
CID 139526372
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
5-methyl-6-[(5-methyl-6H-indeno[2,3-b]indol-6-yl)methyl]-6H-indeno[2,1-b]indole
CID 18424916
bis(2-methoxyethyl) 4-(1H-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4155014
1-[(4R)-4-(1H-indol-3-yl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
CID 92695395

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol?
The IUPAC name of 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol (CID 137274032) is 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol.
What is the SMILES notation for 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol?
The canonical SMILES for 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol is Cn1c(O)c(C2=Nc3ccccc3C2c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol?
The InChIKey is HCXBEOVQAVYZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O/c1-28-21-13-7-4-10-17(21)23(25(28)29)24-22(16-9-3-6-12-20(16)27-24)18-14-26-19-11-5-2-8-15(18)19/h2-14,22,26,29H,1H3.
What are the key properties of 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol?
3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol has a molecular weight of 377.45 g/mol, XLogP of 5.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-indol-3-yl)-3H-indol-2-yl]-1-methylindol-2-ol is sourced from PubChem (CID 137274032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).