2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene

C24H30N4-2 — CID 101383277

IUPAC2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene
SMILESC1=CC=C2[N-]CCCCC[N-]C3=CC=CC=C/C3=N\CCCCC/N=C/2C=C1
InChIInChI=1S/C24H30N4/c1-5-13-21-22(14-6-1)26-18-10-4-12-20-28-24-16-8-2-7-15-23(24)27-19-11-3-9-17-25-21/h1-2,5-8,13-16H,3-4,9-12,17-20H2/q-2/b25-21+,27-23+
InChIKeyZPRFUADSJBIHRN-QLHBFARJSA-N
MW374.53 g/mol
LogP5.99
Rot. Bonds

About 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene

2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene (PubChem CID 101383277) has the molecular formula C24H30N4-2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene.

Molecular Properties

Compound Name2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene
PubChem CID101383277
Molecular FormulaC24H30N4-2
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene
SMILESC1=CC=C2[N-]CCCCC[N-]C3=CC=CC=C/C3=N\CCCCC/N=C/2C=C1
InChIInChI=1S/C24H30N4/c1-5-13-21-22(14-6-1)26-18-10-4-12-20-28-24-16-8-2-7-15-23(24)27-19-11-3-9-17-25-21/h1-2,5-8,13-16H,3-4,9-12,17-20H2/q-2/b25-21+,27-23+
InChIKeyZPRFUADSJBIHRN-QLHBFARJSA-N
XLogP5.99
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene?
The IUPAC name of 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene (CID 101383277) is 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene.
What is the SMILES notation for 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene?
The canonical SMILES for 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene is C1=CC=C2[N-]CCCCC[N-]C3=CC=CC=C/C3=N\CCCCC/N=C/2C=C1.
What is the InChIKey of 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene?
The InChIKey is ZPRFUADSJBIHRN-QLHBFARJSA-N. The full InChI is InChI=1S/C24H30N4/c1-5-13-21-22(14-6-1)26-18-10-4-12-20-28-24-16-8-2-7-15-23(24)27-19-11-3-9-17-25-21/h1-2,5-8,13-16H,3-4,9-12,17-20H2/q-2/b25-21+,27-23+.
What are the key properties of 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene?
2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene has a molecular weight of 374.53 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diaza-16,22-diazanidatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene is sourced from PubChem (CID 101383277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).