9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene

C22H14N2 — CID 23619370

IUPAC9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene
SMILESC1=CC23C=CN=CC2=CC2=CC=CC45C=NC=CC4=CC(=C1)C3=C25
InChIInChI=1S/C22H14N2/c1-3-15-11-17-5-9-24-14-22(17)7-2-4-16-12-18-13-23-10-8-21(18,6-1)19(15)20(16)22/h1-14H
InChIKeyZAOQWZVKMMPCNJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.32
Rot. Bonds

About 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene

9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene (PubChem CID 23619370) has the molecular formula C22H14N2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene.

Molecular Properties

Compound Name9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene
PubChem CID23619370
Molecular FormulaC22H14N2
Molecular Weight306.37 g/mol
Exact Mass306.12
IUPAC Name9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene
SMILESC1=CC23C=CN=CC2=CC2=CC=CC45C=NC=CC4=CC(=C1)C3=C25
InChIInChI=1S/C22H14N2/c1-3-15-11-17-5-9-24-14-22(17)7-2-4-16-12-18-13-23-10-8-21(18,6-1)19(15)20(16)22/h1-14H
InChIKeyZAOQWZVKMMPCNJ-UHFFFAOYSA-N
XLogP4.32
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene?
The IUPAC name of 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene (CID 23619370) is 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene.
What is the SMILES notation for 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene?
The canonical SMILES for 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene is C1=CC23C=CN=CC2=CC2=CC=CC45C=NC=CC4=CC(=C1)C3=C25.
What is the InChIKey of 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene?
The InChIKey is ZAOQWZVKMMPCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2/c1-3-15-11-17-5-9-24-14-22(17)7-2-4-16-12-18-13-23-10-8-21(18,6-1)19(15)20(16)22/h1-14H.
What are the key properties of 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene?
9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene has a molecular weight of 306.37 g/mol, XLogP of 4.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,21-diazahexacyclo[10.10.2.01,18.05,23.07,12.016,24]tetracosa-2,4,6,8,10,13,15,17,19,21,23-undecaene is sourced from PubChem (CID 23619370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).