25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene

C24H20N4 — CID 67843293

IUPAC25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene
SMILESC1=CC2=NC1=CC1CCC(C=C3N=C(C=c4ccc([nH]4)=C2)c2ccccc23)N1
InChIInChI=1S/C24H20N4/c1-2-4-22-21(3-1)23-13-19-9-7-17(26-19)11-15-5-6-16(25-15)12-18-8-10-20(27-18)14-24(22)28-23/h1-7,9,11-14,18,20,26-27H,8,10H2
InChIKeyOEOPLCYACDJRSB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.45
Rot. Bonds

About 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene

25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene (PubChem CID 67843293) has the molecular formula C24H20N4 and a molecular weight of 364.45 g/mol. Its IUPAC name is 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene.

Molecular Properties

Compound Name25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene
PubChem CID67843293
Molecular FormulaC24H20N4
Molecular Weight364.45 g/mol
Exact Mass364.17
IUPAC Name25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene
SMILESC1=CC2=NC1=CC1CCC(C=C3N=C(C=c4ccc([nH]4)=C2)c2ccccc23)N1
InChIInChI=1S/C24H20N4/c1-2-4-22-21(3-1)23-13-19-9-7-17(26-19)11-15-5-6-16(25-15)12-18-8-10-20(27-18)14-24(22)28-23/h1-7,9,11-14,18,20,26-27H,8,10H2
InChIKeyOEOPLCYACDJRSB-UHFFFAOYSA-N
XLogP2.45
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene?
The IUPAC name of 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene (CID 67843293) is 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene.
What is the SMILES notation for 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene?
The canonical SMILES for 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene is C1=CC2=NC1=CC1CCC(C=C3N=C(C=c4ccc([nH]4)=C2)c2ccccc23)N1.
What is the InChIKey of 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene?
The InChIKey is OEOPLCYACDJRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4/c1-2-4-22-21(3-1)23-13-19-9-7-17(26-19)11-15-5-6-16(25-15)12-18-8-10-20(27-18)14-24(22)28-23/h1-7,9,11-14,18,20,26-27H,8,10H2.
What are the key properties of 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene?
25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene has a molecular weight of 364.45 g/mol, XLogP of 2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6,8(27),9,11,17,19,21,23-undecaene is sourced from PubChem (CID 67843293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).