2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole

C24H20N2 — CID 159936103

IUPAC2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole
SMILESc1ccc(CC2=Nc3cc4c(cc3C2)CC(Cc2ccccc2)=N4)cc1
InChIInChI=1S/C24H20N2/c1-3-7-17(8-4-1)11-21-14-19-13-20-15-22(12-18-9-5-2-6-10-18)26-24(20)16-23(19)25-21/h1-10,13,16H,11-12,14-15H2
InChIKeyWZPJJZGRHGWBED-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.43
Rot. Bonds4

About 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole

2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole (PubChem CID 159936103) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole.

Molecular Properties

Compound Name2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole
PubChem CID159936103
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole
SMILESc1ccc(CC2=Nc3cc4c(cc3C2)CC(Cc2ccccc2)=N4)cc1
InChIInChI=1S/C24H20N2/c1-3-7-17(8-4-1)11-21-14-19-13-20-15-22(12-18-9-5-2-6-10-18)26-24(20)16-23(19)25-21/h1-10,13,16H,11-12,14-15H2
InChIKeyWZPJJZGRHGWBED-UHFFFAOYSA-N
XLogP5.43
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole?
The IUPAC name of 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole (CID 159936103) is 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole.
What is the SMILES notation for 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole?
The canonical SMILES for 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole is c1ccc(CC2=Nc3cc4c(cc3C2)CC(Cc2ccccc2)=N4)cc1.
What is the InChIKey of 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole?
The InChIKey is WZPJJZGRHGWBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-3-7-17(8-4-1)11-21-14-19-13-20-15-22(12-18-9-5-2-6-10-18)26-24(20)16-23(19)25-21/h1-10,13,16H,11-12,14-15H2.
What are the key properties of 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole?
2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole has a molecular weight of 336.44 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibenzyl-3,5-dihydropyrrolo[3,2-f]indole is sourced from PubChem (CID 159936103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).