tris(1H-indole);tetrakis(3-methyl-1H-indole)

C60H57N7 — CID 67851832

IUPACtris(1H-indole);tetrakis(3-methyl-1H-indole)
SMILESCc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/4C9H9N.3C8H7N/c4*1-7-6-10-9-5-3-2-4-8(7)9;3*1-2-4-8-7(3-1)5-6-9-8/h4*2-6,10H,1H3;3*1-6,9H
InChIKeyJLSWVFKOVIYLOS-UHFFFAOYSA-N
MW876.17 g/mol
LogP16.41
Rot. Bonds

About tris(1H-indole);tetrakis(3-methyl-1H-indole)

tris(1H-indole);tetrakis(3-methyl-1H-indole) (PubChem CID 67851832) has the molecular formula C60H57N7 and a molecular weight of 876.17 g/mol. Its IUPAC name is tris(1H-indole);tetrakis(3-methyl-1H-indole).

Molecular Properties

Compound Nametris(1H-indole);tetrakis(3-methyl-1H-indole)
PubChem CID67851832
Molecular FormulaC60H57N7
Molecular Weight876.17 g/mol
Exact Mass875.47
IUPAC Nametris(1H-indole);tetrakis(3-methyl-1H-indole)
SMILESCc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1
InChIInChI=1S/4C9H9N.3C8H7N/c4*1-7-6-10-9-5-3-2-4-8(7)9;3*1-2-4-8-7(3-1)5-6-9-8/h4*2-6,10H,1H3;3*1-6,9H
InChIKeyJLSWVFKOVIYLOS-UHFFFAOYSA-N
XLogP16.41
TPSA110.53 Ų
H-Bond Donors7
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500876.17
LogP ≤ 516.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of tris(1H-indole);tetrakis(3-methyl-1H-indole)?
The IUPAC name of tris(1H-indole);tetrakis(3-methyl-1H-indole) (CID 67851832) is tris(1H-indole);tetrakis(3-methyl-1H-indole).
What is the SMILES notation for tris(1H-indole);tetrakis(3-methyl-1H-indole)?
The canonical SMILES for tris(1H-indole);tetrakis(3-methyl-1H-indole) is Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.Cc1c[nH]c2ccccc12.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.
What is the InChIKey of tris(1H-indole);tetrakis(3-methyl-1H-indole)?
The InChIKey is JLSWVFKOVIYLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H9N.3C8H7N/c4*1-7-6-10-9-5-3-2-4-8(7)9;3*1-2-4-8-7(3-1)5-6-9-8/h4*2-6,10H,1H3;3*1-6,9H.
What are the key properties of tris(1H-indole);tetrakis(3-methyl-1H-indole)?
tris(1H-indole);tetrakis(3-methyl-1H-indole) has a molecular weight of 876.17 g/mol, XLogP of 16.41, 0 rotatable bonds, 7 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(1H-indole);tetrakis(3-methyl-1H-indole) is sourced from PubChem (CID 67851832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).