25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene

C24H16N4 — CID 58823276

IUPAC25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)-c1ccccc1-5)[nH]4)[nH]3
InChIInChI=1S/C24H16N4/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/h1-14,25-26H/b15-11-,16-12-,17-11-,18-12-,19-13-,20-14-,23-13-,24-14-
InChIKeySWBKMSNQWVRJHK-QSONDJRLSA-N
MW360.42 g/mol
LogP5.82
Rot. Bonds

About 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene

25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene (PubChem CID 58823276) has the molecular formula C24H16N4 and a molecular weight of 360.42 g/mol. Its IUPAC name is 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene.

Molecular Properties

Compound Name25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene
PubChem CID58823276
Molecular FormulaC24H16N4
Molecular Weight360.42 g/mol
Exact Mass360.14
IUPAC Name25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)-c1ccccc1-5)[nH]4)[nH]3
InChIInChI=1S/C24H16N4/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/h1-14,25-26H/b15-11-,16-12-,17-11-,18-12-,19-13-,20-14-,23-13-,24-14-
InChIKeySWBKMSNQWVRJHK-QSONDJRLSA-N
XLogP5.82
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene 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-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene?
The IUPAC name of 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene (CID 58823276) is 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene.
What is the SMILES notation for 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene?
The canonical SMILES for 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)-c1ccccc1-5)[nH]4)[nH]3.
What is the InChIKey of 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene?
The InChIKey is SWBKMSNQWVRJHK-QSONDJRLSA-N. The full InChI is InChI=1S/C24H16N4/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/h1-14,25-26H/b15-11-,16-12-,17-11-,18-12-,19-13-,20-14-,23-13-,24-14-.
What are the key properties of 25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene?
25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene has a molecular weight of 360.42 g/mol, XLogP of 5.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 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-1,3,5,7,9,11,13(26),14,16,18(25),19,21,23-tridecaene is sourced from PubChem (CID 58823276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).