6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile

C26H14N4 — CID 139192784

IUPAC6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile
SMILESN#Cc1ccc2c(ccn2-c2cc3ccccc3c3cc4cc(C#N)ccc4n23)c1
InChIInChI=1S/C26H14N4/c27-15-17-5-7-23-20(11-17)9-10-29(23)26-14-19-3-1-2-4-22(19)25-13-21-12-18(16-28)6-8-24(21)30(25)26/h1-14H
InChIKeyDBCNEWYNDSFTEJ-UHFFFAOYSA-N
MW382.43 g/mol
LogP5.93
Rot. Bonds1

About 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile

6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile (PubChem CID 139192784) has the molecular formula C26H14N4 and a molecular weight of 382.43 g/mol. Its IUPAC name is 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile.

Molecular Properties

Compound Name6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile
PubChem CID139192784
Molecular FormulaC26H14N4
Molecular Weight382.43 g/mol
Exact Mass382.12
IUPAC Name6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile
SMILESN#Cc1ccc2c(ccn2-c2cc3ccccc3c3cc4cc(C#N)ccc4n23)c1
InChIInChI=1S/C26H14N4/c27-15-17-5-7-23-20(11-17)9-10-29(23)26-14-19-3-1-2-4-22(19)25-13-21-12-18(16-28)6-8-24(21)30(25)26/h1-14H
InChIKeyDBCNEWYNDSFTEJ-UHFFFAOYSA-N
XLogP5.93
TPSA56.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.43
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile?
The IUPAC name of 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile (CID 139192784) is 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile.
What is the SMILES notation for 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile?
The canonical SMILES for 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile is N#Cc1ccc2c(ccn2-c2cc3ccccc3c3cc4cc(C#N)ccc4n23)c1.
What is the InChIKey of 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile?
The InChIKey is DBCNEWYNDSFTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N4/c27-15-17-5-7-23-20(11-17)9-10-29(23)26-14-19-3-1-2-4-22(19)25-13-21-12-18(16-28)6-8-24(21)30(25)26/h1-14H.
What are the key properties of 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile?
6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile has a molecular weight of 382.43 g/mol, XLogP of 5.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyanoindol-1-yl)indolo[2,1-a]isoquinoline-10-carbonitrile is sourced from PubChem (CID 139192784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).