(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

C23H21N7 — CID 10200725

IUPAC(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
SMILESC1=C/C2=C/N3C=CN(/C=c4/cc/c([nH]4)=C/N4C=CN(/C=c5/cc/c([nH]5)=C/C1=N2)C4)C3
InChIInChI=1S/C23H21N7/c1-3-20-12-27-7-9-29(16-27)14-22-5-6-23(26-22)15-30-10-8-28(17-30)13-21-4-2-19(25-21)11-18(1)24-20/h1-15,24,26H,16-17H2/b18-11-,20-12-,21-13-,22-14-,23-15-
InChIKeyMBHOXNTZLPEHSX-SXQHEZECSA-N
MW395.47 g/mol
LogP-0.00
Rot. Bonds

About (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

(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 (PubChem CID 10200725) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10200725
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name(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
SMILESC1=C/C2=C/N3C=CN(/C=c4/cc/c([nH]4)=C/N4C=CN(/C=c5/cc/c([nH]5)=C/C1=N2)C4)C3
InChIInChI=1S/C23H21N7/c1-3-20-12-27-7-9-29(16-27)14-22-5-6-23(26-22)15-30-10-8-28(17-30)13-21-4-2-19(25-21)11-18(1)24-20/h1-15,24,26H,16-17H2/b18-11-,20-12-,21-13-,22-14-,23-15-
InChIKeyMBHOXNTZLPEHSX-SXQHEZECSA-N
XLogP-0.00
TPSA56.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Related Compounds

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Imidazolylporphyrin
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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
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 (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C1=C/C2=C/N3C=CN(/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 (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?
The InChIKey is MBHOXNTZLPEHSX-SXQHEZECSA-N. The full InChI is InChI=1S/C23H21N7/c1-3-20-12-27-7-9-29(16-27)14-22-5-6-23(26-22)15-30-10-8-28(17-30)13-21-4-2-19(25-21)11-18(1)24-20/h1-15,24,26H,16-17H2/b18-11-,20-12-,21-13-,22-14-,23-15-.
What are the key properties of (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?
(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 has a molecular weight of 395.47 g/mol, XLogP of -0.00, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10200725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).