19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene

C24H20N2 — CID 165351241

IUPAC19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene
SMILESc1ccc2c(c1)CCc1nc3ccccc3nc1CCc1ccccc1-2
InChIInChI=1S/C24H20N2/c1-3-9-19-17(7-1)13-15-23-24(16-14-18-8-2-4-10-20(18)19)26-22-12-6-5-11-21(22)25-23/h1-12H,13-16H2
InChIKeyRXPYQGOBZACAER-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.18
Rot. Bonds

About 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene

19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene (PubChem CID 165351241) has the molecular formula C24H20N2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene.

Molecular Properties

Compound Name19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene
PubChem CID165351241
Molecular FormulaC24H20N2
Molecular Weight336.44 g/mol
Exact Mass336.16
IUPAC Name19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene
SMILESc1ccc2c(c1)CCc1nc3ccccc3nc1CCc1ccccc1-2
InChIInChI=1S/C24H20N2/c1-3-9-19-17(7-1)13-15-23-24(16-14-18-8-2-4-10-20(18)19)26-22-12-6-5-11-21(22)25-23/h1-12H,13-16H2
InChIKeyRXPYQGOBZACAER-UHFFFAOYSA-N
XLogP5.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene?
The IUPAC name of 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene (CID 165351241) is 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene.
What is the SMILES notation for 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene?
The canonical SMILES for 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene is c1ccc2c(c1)CCc1nc3ccccc3nc1CCc1ccccc1-2.
What is the InChIKey of 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene?
The InChIKey is RXPYQGOBZACAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2/c1-3-9-19-17(7-1)13-15-23-24(16-14-18-8-2-4-10-20(18)19)26-22-12-6-5-11-21(22)25-23/h1-12H,13-16H2.
What are the key properties of 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene?
19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene has a molecular weight of 336.44 g/mol, XLogP of 5.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19,26-diazapentacyclo[16.8.0.04,9.010,15.020,25]hexacosa-1(26),4,6,8,10,12,14,18,20,22,24-undecaene is sourced from PubChem (CID 165351241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).