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

C27H22N8 — CID 10276217

IUPAC7,10,22,25,30,32,33,35-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
SMILESC1=C/C2=C\N3C=CN(/C=C4/C=CC(=N4)C4=N/C(=C/N5C=CN(/C=c6\cc/c([nH]6)=C/C1=N2)C5)C=C4)C3
InChIInChI=1S/C27H22N8/c1-3-22-14-32-9-11-34(18-32)16-24-5-7-26(30-24)27-8-6-25(31-27)17-35-12-10-33(19-35)15-23-4-2-21(29-23)13-20(1)28-22/h1-17,28H,18-19H2/b20-13-,22-14+,23-15+,24-16+,25-17-
InChIKeyVAWFXXINCNLFRI-QLAZPZPGSA-N
MW458.53 g/mol
LogP2.20
Rot. Bonds

About 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

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 (PubChem CID 10276217) has the molecular formula C27H22N8 and a molecular weight of 458.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,10,22,25,30,32,33,35-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
PubChem CID10276217
Molecular FormulaC27H22N8
Molecular Weight458.53 g/mol
Exact Mass458.20
IUPAC Name7,10,22,25,30,32,33,35-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
SMILESC1=C/C2=C\N3C=CN(/C=C4/C=CC(=N4)C4=N/C(=C/N5C=CN(/C=c6\cc/c([nH]6)=C/C1=N2)C5)C=C4)C3
InChIInChI=1S/C27H22N8/c1-3-22-14-32-9-11-34(18-32)16-24-5-7-26(30-24)27-8-6-25(31-27)17-35-12-10-33(19-35)15-23-4-2-21(29-23)13-20(1)28-22/h1-17,28H,18-19H2/b20-13-,22-14+,23-15+,24-16+,25-17-
InChIKeyVAWFXXINCNLFRI-QLAZPZPGSA-N
XLogP2.20
TPSA65.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

Azaporphyrin
CID 136342648
Imidazolylporphyrin
CID 136393213
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
7,10,17,20,25,27,29-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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=C/C2=C\N3C=CN(/C=C4/C=CC(=N4)C4=N/C(=C/N5C=CN(/C=c6\cc/c([nH]6)=C/C1=N2)C5)C=C4)C3.
What is the InChIKey of 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?
The InChIKey is VAWFXXINCNLFRI-QLAZPZPGSA-N. The full InChI is InChI=1S/C27H22N8/c1-3-22-14-32-9-11-34(18-32)16-24-5-7-26(30-24)27-8-6-25(31-27)17-35-12-10-33(19-35)15-23-4-2-21(29-23)13-20(1)28-22/h1-17,28H,18-19H2/b20-13-,22-14+,23-15+,24-16+,25-17-.
What are the key properties of 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?
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 has a molecular weight of 458.53 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 10276217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).