1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene

C26H43N9 — CID 102314844

IUPAC1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene
SMILESc1cc2ncc1CN1CCNCCN(CCNCC1)Cc1ccc(nc1)NCCCNCCCN2
InChIInChI=1S/C26H43N9/c1-7-27-8-2-10-31-26-6-4-24(20-33-26)22-35-17-13-28-11-15-34(16-12-29-14-18-35)21-23-3-5-25(30-9-1)32-19-23/h3-6,19-20,27-29H,1-2,7-18,21-22H2,(H,30,32)(H,31,33)
InChIKeyAXAMDWHWSHILLH-UHFFFAOYSA-N
MW481.69 g/mol
LogP1.18
Rot. Bonds

About 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene

1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene (PubChem CID 102314844) has the molecular formula C26H43N9 and a molecular weight of 481.69 g/mol. Its IUPAC name is 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene.

Molecular Properties

Compound Name1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene
PubChem CID102314844
Molecular FormulaC26H43N9
Molecular Weight481.69 g/mol
Exact Mass481.36
IUPAC Name1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene
SMILESc1cc2ncc1CN1CCNCCN(CCNCC1)Cc1ccc(nc1)NCCCNCCCN2
InChIInChI=1S/C26H43N9/c1-7-27-8-2-10-31-26-6-4-24(20-33-26)22-35-17-13-28-11-15-34(16-12-29-14-18-35)21-23-3-5-25(30-9-1)32-19-23/h3-6,19-20,27-29H,1-2,7-18,21-22H2,(H,30,32)(H,31,33)
InChIKeyAXAMDWHWSHILLH-UHFFFAOYSA-N
XLogP1.18
TPSA92.41 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.69
LogP ≤ 51.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene with MolForge

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Related Compounds

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CID 102314848
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CID 10697879
1,8,11,14,22,25,30,36-octazapentacyclo[20.5.5.58,14.23,6.116,20]tetraconta-3(40),4,6(39),16,18,20(33)-hexaene
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Frequently Asked Questions

What is the IUPAC name of 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene?
The IUPAC name of 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene (CID 102314844) is 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene.
What is the SMILES notation for 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene?
The canonical SMILES for 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene is c1cc2ncc1CN1CCNCCN(CCNCC1)Cc1ccc(nc1)NCCCNCCCN2.
What is the InChIKey of 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene?
The InChIKey is AXAMDWHWSHILLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N9/c1-7-27-8-2-10-31-26-6-4-24(20-33-26)22-35-17-13-28-11-15-34(16-12-29-14-18-35)21-23-3-5-25(30-9-1)32-19-23/h3-6,19-20,27-29H,1-2,7-18,21-22H2,(H,30,32)(H,31,33).
What are the key properties of 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene?
1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene has a molecular weight of 481.69 g/mol, XLogP of 1.18, 0 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7,11,15,17,21,24,29-nonazatetracyclo[19.5.5.23,6.216,19]pentatriaconta-3,5,16,18,32,34-hexaene is sourced from PubChem (CID 102314844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).