1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene

C28H24N8 — CID 10227218

IUPAC1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene
SMILESC1=C/C2=C/N3C=CN(/C=C4/C=CC(=N4)/C=c4\cc/c([nH]4)=C\N4C=CN(/C=c5\cc/c([nH]5)=C/C1=N2)C4)C3
InChIInChI=1S/C28H24N8/c1-5-25-15-33-9-10-34(19-33)17-27-7-3-23(31-27)14-24-4-8-28(32-24)18-36-12-11-35(20-36)16-26-6-2-22(30-26)13-21(1)29-25/h1-18,29,31H,19-20H2/b21-13-,23-14+,25-15+,26-16-,27-17+,28-18-
InChIKeyARMHOXKWNCNJHC-OTJBXYEKSA-N
MW472.56 g/mol
LogP0.89
Rot. Bonds

About 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene

1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene (PubChem CID 10227218) has the molecular formula C28H24N8 and a molecular weight of 472.56 g/mol. Its IUPAC name is 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene.

Molecular Properties

Compound Name1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene
PubChem CID10227218
Molecular FormulaC28H24N8
Molecular Weight472.56 g/mol
Exact Mass472.21
IUPAC Name1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene
SMILESC1=C/C2=C/N3C=CN(/C=C4/C=CC(=N4)/C=c4\cc/c([nH]4)=C\N4C=CN(/C=c5\cc/c([nH]5)=C/C1=N2)C4)C3
InChIInChI=1S/C28H24N8/c1-5-25-15-33-9-10-34(19-33)17-27-7-3-23(31-27)14-24-4-8-28(32-24)18-36-12-11-35(20-36)16-26-6-2-22(30-26)13-21(1)29-25/h1-18,29,31H,19-20H2/b21-13-,23-14+,25-15+,26-16-,27-17+,28-18-
InChIKeyARMHOXKWNCNJHC-OTJBXYEKSA-N
XLogP0.89
TPSA69.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene with MolForge

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Related Compounds

1,4,21,23-Tetrahydroporphyrin
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Azaporphyrin
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Imidazolylporphyrin
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CID 147272901
Methyl imidazolyl porphyrin
CID 168499686
(7Z,11Z,16Z)-1,3,6,18,22,23-hexazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-4,7,9,11,13(22),14,16,19-octaene
CID 9858182
1,18,22,23,24-Pentazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-2,4,6,8(23),9,11,13(22),14,16,19-decaene
CID 9922817
12,15,25,26,28,29-Hexazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1,3,5(29),6,8,10,13,16,18,20,22(25),23-dodecaene
CID 10110202
1,23,27,28,29,30-Hexazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-2,4,6,8(29),9,11,13(28),14,16,18(27),19,21,24-tridecaene
CID 10178481
(2Z,6Z,12Z,16Z,21Z)-1,8,11,23,27,28,30-heptazahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-2,4,6,9,12,14,16,18(27),19,21,24-undecaene
CID 10200725
7,10,22,25,30,32,33,35-Octazaheptacyclo[25.2.1.12,5.17,10.112,15.117,20.122,25]pentatriaconta-1(30),2(35),3,5,8,11,13,15,17(32),18,20,23,26,28-tetradecaene
CID 10276217
7,10,17,20,25,27,29-Heptazahexacyclo[20.2.1.12,5.17,10.112,15.117,20]nonacosa-1(25),2(29),3,5,8,11,13,15,18,21,23-undecaene
CID 10293199

Frequently Asked Questions

What is the IUPAC name of 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene?
The IUPAC name of 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene (CID 10227218) is 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene.
What is the SMILES notation for 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene?
The canonical SMILES for 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene is C1=C/C2=C/N3C=CN(/C=C4/C=CC(=N4)/C=c4\cc/c([nH]4)=C\N4C=CN(/C=c5\cc/c([nH]5)=C/C1=N2)C4)C3.
What is the InChIKey of 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene?
The InChIKey is ARMHOXKWNCNJHC-OTJBXYEKSA-N. The full InChI is InChI=1S/C28H24N8/c1-5-25-15-33-9-10-34(19-33)17-27-7-3-23(31-27)14-24-4-8-28(32-24)18-36-12-11-35(20-36)16-26-6-2-22(30-26)13-21(1)29-25/h1-18,29,31H,19-20H2/b21-13-,23-14+,25-15+,26-16-,27-17+,28-18-.
What are the key properties of 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene?
1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene has a molecular weight of 472.56 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,13,16,28,32,33,35,36-octazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-2,4,6(36),7,9,11,14,17,19,21,23(32),24,26,29-tetradecaene is sourced from PubChem (CID 10227218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).