8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene

C20H17N5 — CID 135433559

IUPAC8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene
SMILESC1=C/C2=C/C3=N/C(=C\N4C=CN(/C=c5/cc/c([nH]5)=C\C(=C1)N2)C4)C=C3
InChIInChI=1S/C20H17N5/c1-2-15-10-17-4-6-19(22-17)12-24-8-9-25(14-24)13-20-7-5-18(23-20)11-16(3-1)21-15/h1-13,21-22H,14H2/b16-11-,17-10+,19-12-,20-13-
InChIKeyJULZLKPJMMNTQA-UTJIDWAWSA-N
MW327.39 g/mol
LogP1.37
Rot. Bonds

About 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene

8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene (PubChem CID 135433559) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene.

Molecular Properties

Compound Name8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene
PubChem CID135433559
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene
SMILESC1=C/C2=C/C3=N/C(=C\N4C=CN(/C=c5/cc/c([nH]5)=C\C(=C1)N2)C4)C=C3
InChIInChI=1S/C20H17N5/c1-2-15-10-17-4-6-19(22-17)12-24-8-9-25(14-24)13-20-7-5-18(23-20)11-16(3-1)21-15/h1-13,21-22H,14H2/b16-11-,17-10+,19-12-,20-13-
InChIKeyJULZLKPJMMNTQA-UTJIDWAWSA-N
XLogP1.37
TPSA46.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene with MolForge

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Related Compounds

1,4,21,23-Tetrahydroporphyrin
CID 57084381
Azaporphyrin
CID 136342648
Imidazolylporphyrin
CID 136393213
(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
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
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 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene?
The IUPAC name of 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene (CID 135433559) is 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene.
What is the SMILES notation for 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene?
The canonical SMILES for 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene is C1=C/C2=C/C3=N/C(=C\N4C=CN(/C=c5/cc/c([nH]5)=C\C(=C1)N2)C4)C=C3.
What is the InChIKey of 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene?
The InChIKey is JULZLKPJMMNTQA-UTJIDWAWSA-N. The full InChI is InChI=1S/C20H17N5/c1-2-15-10-17-4-6-19(22-17)12-24-8-9-25(14-24)13-20-7-5-18(23-20)11-16(3-1)21-15/h1-13,21-22H,14H2/b16-11-,17-10+,19-12-,20-13-.
What are the key properties of 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene?
8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene has a molecular weight of 327.39 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,22,23,25-pentazapentacyclo[16.3.1.13,6.18,11.113,16]pentacosa-1(21),2,4,6,9,12,14,16(23),17,19-decaene is sourced from PubChem (CID 135433559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).