1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone

C23H18N2O — CID 563323

IUPAC1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C23H18N2O/c1-16(26)25-21-14-8-6-12-19(21)22-23(25)18-11-5-7-13-20(18)24(22)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyCWGHHHRLEXDKEO-UHFFFAOYSA-N
MW338.41 g/mol
LogP5.46
Rot. Bonds2

About 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone

1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone (PubChem CID 563323) has the molecular formula C23H18N2O and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone.

Molecular Properties

Compound Name1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone
PubChem CID563323
Molecular FormulaC23H18N2O
Molecular Weight338.41 g/mol
Exact Mass338.14
IUPAC Name1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone
SMILESCC(=O)n1c2ccccc2c2c1c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C23H18N2O/c1-16(26)25-21-14-8-6-12-19(21)22-23(25)18-11-5-7-13-20(18)24(22)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChIKeyCWGHHHRLEXDKEO-UHFFFAOYSA-N
XLogP5.46
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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9-benzyl-25-ethyl-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
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Frequently Asked Questions

What is the IUPAC name of 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone?
The IUPAC name of 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone (CID 563323) is 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone.
What is the SMILES notation for 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone?
The canonical SMILES for 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone is CC(=O)n1c2ccccc2c2c1c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone?
The InChIKey is CWGHHHRLEXDKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O/c1-16(26)25-21-14-8-6-12-19(21)22-23(25)18-11-5-7-13-20(18)24(22)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3.
What are the key properties of 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone?
1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone has a molecular weight of 338.41 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-benzylindolo[3,2-b]indol-10-yl)ethanone is sourced from PubChem (CID 563323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).