17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine

C24H36N6O4 — CID 102030996

IUPAC17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine
SMILESNc1ccc2nc1-c1nc(ccc1N)CN1CCOCCOCCN(CCOCCOCC1)C2
InChIInChI=1S/C24H36N6O4/c25-21-3-1-19-17-29-5-9-31-13-15-33-11-7-30(8-12-34-16-14-32-10-6-29)18-20-2-4-22(26)24(28-20)23(21)27-19/h1-4H,5-18,25-26H2
InChIKeySNOQZQHKPGSDPB-UHFFFAOYSA-N
MW472.59 g/mol
LogP1.01
Rot. Bonds

About 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine

17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine (PubChem CID 102030996) has the molecular formula C24H36N6O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine.

Molecular Properties

Compound Name17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine
PubChem CID102030996
Molecular FormulaC24H36N6O4
Molecular Weight472.59 g/mol
Exact Mass472.28
IUPAC Name17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine
SMILESNc1ccc2nc1-c1nc(ccc1N)CN1CCOCCOCCN(CCOCCOCC1)C2
InChIInChI=1S/C24H36N6O4/c25-21-3-1-19-17-29-5-9-31-13-15-33-11-7-30(8-12-34-16-14-32-10-6-29)18-20-2-4-22(26)24(28-20)23(21)27-19/h1-4H,5-18,25-26H2
InChIKeySNOQZQHKPGSDPB-UHFFFAOYSA-N
XLogP1.01
TPSA121.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine?
The IUPAC name of 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine (CID 102030996) is 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine.
What is the SMILES notation for 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine?
The canonical SMILES for 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine is Nc1ccc2nc1-c1nc(ccc1N)CN1CCOCCOCCN(CCOCCOCC1)C2.
What is the InChIKey of 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine?
The InChIKey is SNOQZQHKPGSDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O4/c25-21-3-1-19-17-29-5-9-31-13-15-33-11-7-30(8-12-34-16-14-32-10-6-29)18-20-2-4-22(26)24(28-20)23(21)27-19/h1-4H,5-18,25-26H2.
What are the key properties of 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine?
17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine has a molecular weight of 472.59 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 17,20,25,28-tetraoxa-1,14,31,32-tetrazatetracyclo[12.8.8.13,7.18,12]dotriaconta-3(32),4,6,8,10,12(31)-hexaene-6,9-diamine is sourced from PubChem (CID 102030996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).