2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene

C12H4N10 — CID 101411498

IUPAC2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
SMILESc1cnc2nc3nc4nc5nccnc5nc4nc3nc2n1
InChIInChI=1S/C12H4N10/c1-2-14-6-5(13-1)17-9-10(18-6)22-12-11(21-9)19-7-8(20-12)16-4-3-15-7/h1-4H
InChIKeyRJQOKJGGHMAIHE-UHFFFAOYSA-N
MW288.23 g/mol
LogP0.25
Rot. Bonds

About 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene

2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene (PubChem CID 101411498) has the molecular formula C12H4N10 and a molecular weight of 288.23 g/mol. Its IUPAC name is 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
PubChem CID101411498
Molecular FormulaC12H4N10
Molecular Weight288.23 g/mol
Exact Mass288.06
IUPAC Name2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene
SMILESc1cnc2nc3nc4nc5nccnc5nc4nc3nc2n1
InChIInChI=1S/C12H4N10/c1-2-14-6-5(13-1)17-9-10(18-6)22-12-11(21-9)19-7-8(20-12)16-4-3-15-7/h1-4H
InChIKeyRJQOKJGGHMAIHE-UHFFFAOYSA-N
XLogP0.25
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?
The IUPAC name of 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene (CID 101411498) is 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene.
What is the SMILES notation for 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?
The canonical SMILES for 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene is c1cnc2nc3nc4nc5nccnc5nc4nc3nc2n1.
What is the InChIKey of 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?
The InChIKey is RJQOKJGGHMAIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4N10/c1-2-14-6-5(13-1)17-9-10(18-6)22-12-11(21-9)19-7-8(20-12)16-4-3-15-7/h1-4H.
What are the key properties of 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene?
2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene has a molecular weight of 288.23 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,9,11,13,15,17,20,22-decazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1,3,5,7,9,11,13,15,17,19,21-undecaene is sourced from PubChem (CID 101411498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).