2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene

C26H44N6 — CID 57260839

IUPAC2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene
SMILESCC1=C2/C=N\CCC/N=C/C(=C(C)N(C)CCCCCCN1C)/C(C)=N/CCC/N=C\2C
InChIInChI=1S/C26H44N6/c1-21-25-19-27-13-11-14-28-20-26(22(2)30-16-12-15-29-21)24(4)32(6)18-10-8-7-9-17-31(5)23(25)3/h19-20H,7-18H2,1-6H3/b25-23?,26-24?,27-19-,28-20+,29-21-,30-22+
InChIKeyBKFGCMHSWXPLQA-OFYPSATJSA-N
MW440.68 g/mol
LogP4.83
Rot. Bonds

About 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene

2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene (PubChem CID 57260839) has the molecular formula C26H44N6 and a molecular weight of 440.68 g/mol. Its IUPAC name is 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene.

Molecular Properties

Compound Name2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene
PubChem CID57260839
Molecular FormulaC26H44N6
Molecular Weight440.68 g/mol
Exact Mass440.36
IUPAC Name2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene
SMILESCC1=C2/C=N\CCC/N=C/C(=C(C)N(C)CCCCCCN1C)/C(C)=N/CCC/N=C\2C
InChIInChI=1S/C26H44N6/c1-21-25-19-27-13-11-14-28-20-26(22(2)30-16-12-15-29-21)24(4)32(6)18-10-8-7-9-17-31(5)23(25)3/h19-20H,7-18H2,1-6H3/b25-23?,26-24?,27-19-,28-20+,29-21-,30-22+
InChIKeyBKFGCMHSWXPLQA-OFYPSATJSA-N
XLogP4.83
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.68
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene?
The IUPAC name of 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene (CID 57260839) is 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene.
What is the SMILES notation for 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene?
The canonical SMILES for 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene is CC1=C2/C=N\CCC/N=C/C(=C(C)N(C)CCCCCCN1C)/C(C)=N/CCC/N=C\2C.
What is the InChIKey of 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene?
The InChIKey is BKFGCMHSWXPLQA-OFYPSATJSA-N. The full InChI is InChI=1S/C26H44N6/c1-21-25-19-27-13-11-14-28-20-26(22(2)30-16-12-15-29-21)24(4)32(6)18-10-8-7-9-17-31(5)23(25)3/h19-20H,7-18H2,1-6H3/b25-23?,26-24?,27-19-,28-20+,29-21-,30-22+.
What are the key properties of 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene?
2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene has a molecular weight of 440.68 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,10,11,13,19-hexamethyl-3,10,14,18,21,25-hexazabicyclo[10.7.7]hexacosa-1,11,13,18,20,25-hexaene is sourced from PubChem (CID 57260839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).