23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene

C22H30N2 — CID 11012714

IUPAC23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
SMILESc1cc2nc(c1)CCCCCCc1cccc(n1)CCCCCC2
InChIInChI=1S/C22H30N2/c1-2-6-12-20-16-10-18-22(24-20)14-8-4-3-7-13-21-17-9-15-19(23-21)11-5-1/h9-10,15-18H,1-8,11-14H2
InChIKeyYGNXAISTPUCKGO-UHFFFAOYSA-N
MW322.50 g/mol
LogP5.48
Rot. Bonds

About 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene

23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene (PubChem CID 11012714) has the molecular formula C22H30N2 and a molecular weight of 322.50 g/mol. Its IUPAC name is 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene.

Molecular Properties

Compound Name23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
PubChem CID11012714
Molecular FormulaC22H30N2
Molecular Weight322.50 g/mol
Exact Mass322.24
IUPAC Name23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene
SMILESc1cc2nc(c1)CCCCCCc1cccc(n1)CCCCCC2
InChIInChI=1S/C22H30N2/c1-2-6-12-20-16-10-18-22(24-20)14-8-4-3-7-13-21-17-9-15-19(23-21)11-5-1/h9-10,15-18H,1-8,11-14H2
InChIKeyYGNXAISTPUCKGO-UHFFFAOYSA-N
XLogP5.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.50
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene?
The IUPAC name of 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene (CID 11012714) is 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene.
What is the SMILES notation for 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene?
The canonical SMILES for 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene is c1cc2nc(c1)CCCCCCc1cccc(n1)CCCCCC2.
What is the InChIKey of 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene?
The InChIKey is YGNXAISTPUCKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2/c1-2-6-12-20-16-10-18-22(24-20)14-8-4-3-7-13-21-17-9-15-19(23-21)11-5-1/h9-10,15-18H,1-8,11-14H2.
What are the key properties of 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene?
23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene has a molecular weight of 322.50 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 23,24-diazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene is sourced from PubChem (CID 11012714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).