2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene

C15H7N7 — CID 102403996

IUPAC2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
SMILESc1ncc2cc3cc4cc5cncnc5nc4nc3nc2n1
InChIInChI=1S/C15H7N7/c1-8-2-10-4-16-6-18-12(10)20-14(8)22-15-9(1)3-11-5-17-7-19-13(11)21-15/h1-7H
InChIKeyNZBASFYEJYAMIL-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.06
Rot. Bonds

About 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene

2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene (PubChem CID 102403996) has the molecular formula C15H7N7 and a molecular weight of 285.27 g/mol. Its IUPAC name is 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene.

Molecular Properties

Compound Name2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
PubChem CID102403996
Molecular FormulaC15H7N7
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene
SMILESc1ncc2cc3cc4cc5cncnc5nc4nc3nc2n1
InChIInChI=1S/C15H7N7/c1-8-2-10-4-16-6-18-12(10)20-14(8)22-15-9(1)3-11-5-17-7-19-13(11)21-15/h1-7H
InChIKeyNZBASFYEJYAMIL-UHFFFAOYSA-N
XLogP2.06
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene with MolForge

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Related Compounds

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2,4,6,7,11,12,14-heptazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,6,9,11,13-heptaene
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Frequently Asked Questions

What is the IUPAC name of 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene?
The IUPAC name of 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene (CID 102403996) is 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene.
What is the SMILES notation for 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene?
The canonical SMILES for 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene is c1ncc2cc3cc4cc5cncnc5nc4nc3nc2n1.
What is the InChIKey of 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene?
The InChIKey is NZBASFYEJYAMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7N7/c1-8-2-10-4-16-6-18-12(10)20-14(8)22-15-9(1)3-11-5-17-7-19-13(11)21-15/h1-7H.
What are the key properties of 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene?
2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene has a molecular weight of 285.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,18,20,22-heptazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaene is sourced from PubChem (CID 102403996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).