1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene

C28H26N8 — CID 10299153

IUPAC1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene
SMILESC1=CN2/C=c3/cc/c([nH]3)=C\N3C=CN(/C=c4\cc/c([nH]4)=C/c4ccc([nH]4)/C=c4\cc/c([nH]4)=C/N1C2)C3
InChIInChI=1S/C28H26N8/c1-2-22-14-24-4-6-26(31-24)16-34-10-12-36(20-34)18-28-8-7-27(32-28)17-35-11-9-33(19-35)15-25-5-3-23(30-25)13-21(1)29-22/h1-18,29-32H,19-20H2/b23-13-,24-14+,25-15+,26-16-,27-17+,28-18-
InChIKeyHSELOAXGHXPJJT-VOWPTCLVSA-N
MW474.57 g/mol
LogP-0.58
Rot. Bonds

About 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene

1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene (PubChem CID 10299153) has the molecular formula C28H26N8 and a molecular weight of 474.57 g/mol. Its IUPAC name is 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene.

Molecular Properties

Compound Name1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene
PubChem CID10299153
Molecular FormulaC28H26N8
Molecular Weight474.57 g/mol
Exact Mass474.23
IUPAC Name1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene
SMILESC1=CN2/C=c3/cc/c([nH]3)=C\N3C=CN(/C=c4\cc/c([nH]4)=C/c4ccc([nH]4)/C=c4\cc/c([nH]4)=C/N1C2)C3
InChIInChI=1S/C28H26N8/c1-2-22-14-24-4-6-26(31-24)16-34-10-12-36(20-34)18-28-8-7-27(32-28)17-35-11-9-33(19-35)15-25-5-3-23(30-25)13-21(1)29-22/h1-18,29-32H,19-20H2/b23-13-,24-14+,25-15+,26-16-,27-17+,28-18-
InChIKeyHSELOAXGHXPJJT-VOWPTCLVSA-N
XLogP-0.58
TPSA76.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene?
The IUPAC name of 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene (CID 10299153) is 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene.
What is the SMILES notation for 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene?
The canonical SMILES for 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene is C1=CN2/C=c3/cc/c([nH]3)=C\N3C=CN(/C=c4\cc/c([nH]4)=C/c4ccc([nH]4)/C=c4\cc/c([nH]4)=C/N1C2)C3.
What is the InChIKey of 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene?
The InChIKey is HSELOAXGHXPJJT-VOWPTCLVSA-N. The full InChI is InChI=1S/C28H26N8/c1-2-22-14-24-4-6-26(31-24)16-34-10-12-36(20-34)18-28-8-7-27(32-28)17-35-11-9-33(19-35)15-25-5-3-23(30-25)13-21(1)29-22/h1-18,29-32H,19-20H2/b23-13-,24-14+,25-15+,26-16-,27-17+,28-18-.
What are the key properties of 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene?
1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene has a molecular weight of 474.57 g/mol, XLogP of -0.58, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,11,28,32,33,34,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6,9,12,14,16,18,20,22,24,26,29-tridecaene is sourced from PubChem (CID 10299153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).