13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene

C23H17N — CID 157423082

IUPAC13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene
SMILESC1=C2C(=CC1)C1C3=CCC=C3c3ccccc3N1c1ccccc12
InChIInChI=1S/C23H17N/c1-3-13-21-17(7-1)15-9-5-11-19(15)23-20-12-6-10-16(20)18-8-2-4-14-22(18)24(21)23/h1-4,7-14,23H,5-6H2
InChIKeyFOXAHWLOUXAORF-UHFFFAOYSA-N
MW307.40 g/mol
LogP5.65
Rot. Bonds

About 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene

13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene (PubChem CID 157423082) has the molecular formula C23H17N and a molecular weight of 307.40 g/mol. Its IUPAC name is 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene.

Molecular Properties

Compound Name13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene
PubChem CID157423082
Molecular FormulaC23H17N
Molecular Weight307.40 g/mol
Exact Mass307.14
IUPAC Name13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene
SMILESC1=C2C(=CC1)C1C3=CCC=C3c3ccccc3N1c1ccccc12
InChIInChI=1S/C23H17N/c1-3-13-21-17(7-1)15-9-5-11-19(15)23-20-12-6-10-16(20)18-8-2-4-14-22(18)24(21)23/h1-4,7-14,23H,5-6H2
InChIKeyFOXAHWLOUXAORF-UHFFFAOYSA-N
XLogP5.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.40
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene?
The IUPAC name of 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene (CID 157423082) is 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene.
What is the SMILES notation for 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene?
The canonical SMILES for 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene is C1=C2C(=CC1)C1C3=CCC=C3c3ccccc3N1c1ccccc12.
What is the InChIKey of 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene?
The InChIKey is FOXAHWLOUXAORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N/c1-3-13-21-17(7-1)15-9-5-11-19(15)23-20-12-6-10-16(20)18-8-2-4-14-22(18)24(21)23/h1-4,7-14,23H,5-6H2.
What are the key properties of 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene?
13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene has a molecular weight of 307.40 g/mol, XLogP of 5.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-azahexacyclo[11.11.0.02,6.07,12.014,19.020,24]tetracosa-2,5,7,9,11,14,16,18,20,23-decaene is sourced from PubChem (CID 157423082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).