(1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene

C24H40N6 — CID 173396996

IUPAC(1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene
SMILESC/C1=N/CCC/N=C(C)/C2=C(/C)N(C)CCCCN(C)/C(C)=C1/C=N\CCC\N=C\2
InChIInChI=1S/C24H40N6/c1-19-23-17-25-11-9-12-26-18-24(20(2)28-14-10-13-27-19)22(4)30(6)16-8-7-15-29(5)21(23)3/h17-18H,7-16H2,1-6H3/b23-21-,24-22-,25-17-,26-18+,27-19-,28-20+
InChIKeyPBGRSBKPXKFINB-WWQKVVGKSA-N
MW412.63 g/mol
LogP4.05
Rot. Bonds

About (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene

(1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene (PubChem CID 173396996) has the molecular formula C24H40N6 and a molecular weight of 412.63 g/mol. Its IUPAC name is (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene.

Molecular Properties

Compound Name(1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene
PubChem CID173396996
Molecular FormulaC24H40N6
Molecular Weight412.63 g/mol
Exact Mass412.33
IUPAC Name(1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene
SMILESC/C1=N/CCC/N=C(C)/C2=C(/C)N(C)CCCCN(C)/C(C)=C1/C=N\CCC\N=C\2
InChIInChI=1S/C24H40N6/c1-19-23-17-25-11-9-12-26-18-24(20(2)28-14-10-13-27-19)22(4)30(6)16-8-7-15-29(5)21(23)3/h17-18H,7-16H2,1-6H3/b23-21-,24-22-,25-17-,26-18+,27-19-,28-20+
InChIKeyPBGRSBKPXKFINB-WWQKVVGKSA-N
XLogP4.05
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.63
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene?
The IUPAC name of (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene (CID 173396996) is (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene.
What is the SMILES notation for (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene?
The canonical SMILES for (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene is C/C1=N/CCC/N=C(C)/C2=C(/C)N(C)CCCCN(C)/C(C)=C1/C=N\CCC\N=C\2.
What is the InChIKey of (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene?
The InChIKey is PBGRSBKPXKFINB-WWQKVVGKSA-N. The full InChI is InChI=1S/C24H40N6/c1-19-23-17-25-11-9-12-26-18-24(20(2)28-14-10-13-27-19)22(4)30(6)16-8-7-15-29(5)21(23)3/h17-18H,7-16H2,1-6H3/b23-21-,24-22-,25-17-,26-18+,27-19-,28-20+.
What are the key properties of (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene?
(1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene has a molecular weight of 412.63 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9E)-2,3,8,9,11,17-hexamethyl-3,8,12,16,19,23-hexazabicyclo[8.7.7]tetracosa-1,9,11,16,18,23-hexaene is sourced from PubChem (CID 173396996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).