7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene

C26H22N8 — CID 20816054

IUPAC7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene
SMILESC1=C/C2=C\N3C=CN(/C=c4/cc/c([nH]4)=c4/cc/c([nH]4)=C\N4C=CN(/C=C5\C=CC(=N5)C1=N2)C4)C3
InChIInChI=1S/C26H22N8/c1-5-23-24-6-2-20(28-24)14-33-11-12-34(18-33)16-22-4-8-26(30-22)25-7-3-21(29-25)15-32-10-9-31(17-32)13-19(1)27-23/h1-16,27-28H,17-18H2/b19-13-,20-14+,21-15+,22-16+,24-23+
InChIKeyHWBAGQQVOYBEKW-DDJUQONYSA-N
MW446.52 g/mol
LogP1.92
Rot. Bonds

About 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene

7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene (PubChem CID 20816054) has the molecular formula C26H22N8 and a molecular weight of 446.52 g/mol. Its IUPAC name is 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene.

Molecular Properties

Compound Name7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene
PubChem CID20816054
Molecular FormulaC26H22N8
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene
SMILESC1=C/C2=C\N3C=CN(/C=c4/cc/c([nH]4)=c4/cc/c([nH]4)=C\N4C=CN(/C=C5\C=CC(=N5)C1=N2)C4)C3
InChIInChI=1S/C26H22N8/c1-5-23-24-6-2-20(28-24)14-33-11-12-34(18-33)16-22-4-8-26(30-22)25-7-3-21(29-25)15-32-10-9-31(17-32)13-19(1)27-23/h1-16,27-28H,17-18H2/b19-13-,20-14+,21-15+,22-16+,24-23+
InChIKeyHWBAGQQVOYBEKW-DDJUQONYSA-N
XLogP1.92
TPSA69.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene with MolForge

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Related Compounds

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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
7,10,20,21,23-Pentazapentacyclo[15.2.1.12,5.17,10.112,15]tricosa-1(20),2(23),3,5,8,11,13,15(21),16,18-decaene
CID 9966065
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
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
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 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene?
The IUPAC name of 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene (CID 20816054) is 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene.
What is the SMILES notation for 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene?
The canonical SMILES for 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene is C1=C/C2=C\N3C=CN(/C=c4/cc/c([nH]4)=c4/cc/c([nH]4)=C\N4C=CN(/C=C5\C=CC(=N5)C1=N2)C4)C3.
What is the InChIKey of 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene?
The InChIKey is HWBAGQQVOYBEKW-DDJUQONYSA-N. The full InChI is InChI=1S/C26H22N8/c1-5-23-24-6-2-20(28-24)14-33-11-12-34(18-33)16-22-4-8-26(30-22)25-7-3-21(29-25)15-32-10-9-31(17-32)13-19(1)27-23/h1-16,27-28H,17-18H2/b19-13-,20-14+,21-15+,22-16+,24-23+.
What are the key properties of 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene?
7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene has a molecular weight of 446.52 g/mol, XLogP of 1.92, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,10,21,24,29,31,32,34-octazaheptacyclo[24.2.1.12,5.17,10.112,15.116,19.121,24]tetratriaconta-1(29),2(34),3,5,8,11,13,15,17,19,22,25,27-tridecaene is sourced from PubChem (CID 20816054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).