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

C24H32N4 — CID 11813095

IUPAC2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene
SMILESC1=CC=C2NCCCCCNC3=CC=CC=C/C3=N\CCCCC/N=C/2C=C1
InChIInChI=1S/C24H32N4/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/h1-2,5-8,13-16,25,27H,3-4,9-12,17-20H2/b26-22+,28-24+
InChIKeyDUDNHXPCKYXSAH-QJGGEWOVSA-N
MW376.55 g/mol
LogP4.42
Rot. Bonds

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

2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene (PubChem CID 11813095) has the molecular formula C24H32N4 and a molecular weight of 376.55 g/mol. Its IUPAC name is 2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene.

Molecular Properties

Compound Name2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene
PubChem CID11813095
Molecular FormulaC24H32N4
Molecular Weight376.55 g/mol
Exact Mass376.26
IUPAC Name2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene
SMILESC1=CC=C2NCCCCCNC3=CC=CC=C/C3=N\CCCCC/N=C/2C=C1
InChIInChI=1S/C24H32N4/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/h1-2,5-8,13-16,25,27H,3-4,9-12,17-20H2/b26-22+,28-24+
InChIKeyDUDNHXPCKYXSAH-QJGGEWOVSA-N
XLogP4.42
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'colchicine_A(3)', 'substructure': 'N/A'}

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Related Compounds

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CID 358335
2,10,18,26-Tetrazatricyclo[25.5.0.011,17]dotriaconta-1,10,12,14,16,27,29,31-octaene
CID 358337
2,6,14,18-Tetrazatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene
CID 358339
N'-[7-(4-aminobutylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]butane-1,4-diamine
CID 101917798
N'-[7-(6-aminohexylimino)-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl]hexane-1,6-diamine
CID 101917799
N-[(6Z,9Z,12Z,15Z,18Z)-henicosa-1,6,9,12,15,18-hexaen-2-yl]-N'-[3-[(Z)-2-(methylamino)prop-1-enyl]iminobut-1-en-2-yl]ethane-1,2-diamine
CID 130374612
3,5-Dimethyl-2,6-diazabicyclo[5.5.0]dodeca-1(7),2,9,11-tetraene;ethane
CID 142092732
(Z,4Z)-N-tert-butyl-7-[(Z)-4,4-dimethylpent-2-en-3-yl]imino-4-ethylideneoct-5-en-1-amine
CID 166996568
2,7,15,20-Tetrazatricyclo[19.5.0.08,14]hexacosa-1,8,10,12,14,21,23,25-octaene
CID 358321
2,6,14,21-Tetrazatricyclo[20.5.0.07,13]heptacosa-1,6,8,10,12,22,24,26-octaene
CID 358327
N-propyl-7-propyliminocyclohepta-1,3,5-trien-1-amine
CID 5241766
2,6,14,20-Tetrazatricyclo[19.5.0.07,13]hexacosa-1,6,8,10,12,21,23,25-octaene
CID 10876259

Frequently Asked Questions

What is the IUPAC name of 2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene?
The IUPAC name of 2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene (CID 11813095) is 2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene.
What is the SMILES notation for 2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene?
The canonical SMILES for 2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene is C1=CC=C2NCCCCCNC3=CC=CC=C/C3=N\CCCCC/N=C/2C=C1.
What is the InChIKey of 2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene?
The InChIKey is DUDNHXPCKYXSAH-QJGGEWOVSA-N. The full InChI is InChI=1S/C24H32N4/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/h1-2,5-8,13-16,25,27H,3-4,9-12,17-20H2/b26-22+,28-24+.
What are the key properties of 2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene?
2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene has a molecular weight of 376.55 g/mol, XLogP of 4.42, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene is sourced from PubChem (CID 11813095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).