2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene

C16H10N6 — CID 582226

IUPAC2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene
SMILESC1=Nc2ccccc2N2N=C3C=Nc4ccccc4N3N=C12
InChIInChI=1S/C16H10N6/c1-3-7-13-11(5-1)17-9-15-20-22-14-8-4-2-6-12(14)18-10-16(22)19-21(13)15/h1-10H
InChIKeyZCHGZYOMDIYIOF-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.07
Rot. Bonds

About 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene

2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene (PubChem CID 582226) has the molecular formula C16H10N6 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene.

Molecular Properties

Compound Name2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene
PubChem CID582226
Molecular FormulaC16H10N6
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene
SMILESC1=Nc2ccccc2N2N=C3C=Nc4ccccc4N3N=C12
InChIInChI=1S/C16H10N6/c1-3-7-13-11(5-1)17-9-15-20-22-14-8-4-2-6-12(14)18-10-16(22)19-21(13)15/h1-10H
InChIKeyZCHGZYOMDIYIOF-UHFFFAOYSA-N
XLogP3.07
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene?
The IUPAC name of 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene (CID 582226) is 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene.
What is the SMILES notation for 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene?
The canonical SMILES for 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene is C1=Nc2ccccc2N2N=C3C=Nc4ccccc4N3N=C12.
What is the InChIKey of 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene?
The InChIKey is ZCHGZYOMDIYIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6/c1-3-7-13-11(5-1)17-9-15-20-22-14-8-4-2-6-12(14)18-10-16(22)19-21(13)15/h1-10H.
What are the key properties of 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene?
2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene has a molecular weight of 286.30 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,10,13,14,21-hexazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene is sourced from PubChem (CID 582226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).