2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene

C22H26N4-2 — CID 122228468

IUPAC2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene
SMILESC1=CC=C2[N-]CCCC/N=C3\C=CC=CC=C3[N-]CCCC/N=C/2C=C1
InChIInChI=1S/C22H26N4/c1-3-11-19-20(12-4-1)24-16-8-10-18-26-22-14-6-2-5-13-21(22)25-17-9-7-15-23-19/h1-6,11-14H,7-10,15-18H2/q-2/b23-19+,26-22+
InChIKeyXDDWDTIZCDCFMH-SMKWTANGSA-N
MW346.48 g/mol
LogP5.21
Rot. Bonds

About 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene

2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene (PubChem CID 122228468) has the molecular formula C22H26N4-2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene.

Molecular Properties

Compound Name2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene
PubChem CID122228468
Molecular FormulaC22H26N4-2
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene
SMILESC1=CC=C2[N-]CCCC/N=C3\C=CC=CC=C3[N-]CCCC/N=C/2C=C1
InChIInChI=1S/C22H26N4/c1-3-11-19-20(12-4-1)24-16-8-10-18-26-22-14-6-2-5-13-21(22)25-17-9-7-15-23-19/h1-6,11-14H,7-10,15-18H2/q-2/b23-19+,26-22+
InChIKeyXDDWDTIZCDCFMH-SMKWTANGSA-N
XLogP5.21
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene?
The IUPAC name of 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene (CID 122228468) is 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene.
What is the SMILES notation for 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene?
The canonical SMILES for 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene is C1=CC=C2[N-]CCCC/N=C3\C=CC=CC=C3[N-]CCCC/N=C/2C=C1.
What is the InChIKey of 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene?
The InChIKey is XDDWDTIZCDCFMH-SMKWTANGSA-N. The full InChI is InChI=1S/C22H26N4/c1-3-11-19-20(12-4-1)24-16-8-10-18-26-22-14-6-2-5-13-21(22)25-17-9-7-15-23-19/h1-6,11-14H,7-10,15-18H2/q-2/b23-19+,26-22+.
What are the key properties of 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene?
2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene has a molecular weight of 346.48 g/mol, XLogP of 5.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,15-diaza-7,20-diazanidatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene is sourced from PubChem (CID 122228468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).