23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene

C22H16N4 — CID 162415039

IUPAC23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene
SMILESC1=C/C2=C\C=c3/cc/c([nH]3)=C\C3=N/C(=C/C=c4\cc/c([nH]4)=C\C1=N2)C=C3
InChIInChI=1S/C22H16N4/c1-2-16-6-10-20(24-16)14-22-12-8-18(26-22)4-3-17-7-11-21(25-17)13-19-9-5-15(1)23-19/h1-14,23,26H/b2-1-,4-3-,15-1-,16-2+,17-3-,18-4+,19-13-,20-14+,21-13-,22-14+
InChIKeyOCGYGPVAPPYWTK-KEKMYVFSSA-N
MW336.40 g/mol
LogP0.97
Rot. Bonds

About 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene

23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene (PubChem CID 162415039) has the molecular formula C22H16N4 and a molecular weight of 336.40 g/mol. Its IUPAC name is 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene.

Molecular Properties

Compound Name23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene
PubChem CID162415039
Molecular FormulaC22H16N4
Molecular Weight336.40 g/mol
Exact Mass336.14
IUPAC Name23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene
SMILESC1=C/C2=C\C=c3/cc/c([nH]3)=C\C3=N/C(=C/C=c4\cc/c([nH]4)=C\C1=N2)C=C3
InChIInChI=1S/C22H16N4/c1-2-16-6-10-20(24-16)14-22-12-8-18(26-22)4-3-17-7-11-21(25-17)13-19-9-5-15(1)23-19/h1-14,23,26H/b2-1-,4-3-,15-1-,16-2+,17-3-,18-4+,19-13-,20-14+,21-13-,22-14+
InChIKeyOCGYGPVAPPYWTK-KEKMYVFSSA-N
XLogP0.97
TPSA56.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene with MolForge

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Related Compounds

1,4,21,23-Tetrahydroporphyrin
CID 57084381
21,23-Dihydroporphyrin
CID 66788511
Dihydroporphyrin
CID 88846811
porphyrin N-oxide
CID 129723679
Platinioporphyrin
CID 129823900
Porphyrin-ring
CID 5481287
5,10,15-trifluoro-21H-corrin
CID 68772900
1-fluoro-21,23-dihydro-2H-porphyrin
CID 154001382
21,22,23,24-Tetrazapentacyclo[16.2.1.12,5.16,9.112,15]tetracosa-1(21),2(24),3,5,7,9,11,13,15,17,19-undecaene
CID 85612129
21,22,23,24-Tetrazapentacyclo[16.2.1.12,5.16,9.110,13]tetracosa-1,3,5(24),6(23),7,9,11,13,15,17,19-undecaene
CID 85612130
Rhodioporphyrin
CID 129652942
Dihydrobilin
CID 129702955

Frequently Asked Questions

What is the IUPAC name of 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene?
The IUPAC name of 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene (CID 162415039) is 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene.
What is the SMILES notation for 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene?
The canonical SMILES for 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene is C1=C/C2=C\C=c3/cc/c([nH]3)=C\C3=N/C(=C/C=c4\cc/c([nH]4)=C\C1=N2)C=C3.
What is the InChIKey of 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene?
The InChIKey is OCGYGPVAPPYWTK-KEKMYVFSSA-N. The full InChI is InChI=1S/C22H16N4/c1-2-16-6-10-20(24-16)14-22-12-8-18(26-22)4-3-17-7-11-21(25-17)13-19-9-5-15(1)23-19/h1-14,23,26H/b2-1-,4-3-,15-1-,16-2+,17-3-,18-4+,19-13-,20-14+,21-13-,22-14+.
What are the key properties of 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene?
23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene has a molecular weight of 336.40 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23,24,25,26-tetrazapentacyclo[18.2.1.13,6.19,12.114,17]hexacosa-1(23),2,4,6,8,10,12(25),13,15,17,19,21-dodecaene is sourced from PubChem (CID 162415039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).