8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene

C26H24N2 — CID 163707899

IUPAC8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene
SMILESCC1(C)c2cccnc2C2=CCC3c4c(ccc1c42)-c1ncccc1C3(C)C
InChIInChI=1S/C26H24N2/c1-25(2)17-11-9-16-22-18(26(3,4)20-8-6-14-28-24(16)20)12-10-15(21(17)22)23-19(25)7-5-13-27-23/h5-11,13-14,18H,12H2,1-4H3
InChIKeyKGQXVNNBONZRFZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.99
Rot. Bonds

About 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene

8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene (PubChem CID 163707899) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene.

Molecular Properties

Compound Name8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene
PubChem CID163707899
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene
SMILESCC1(C)c2cccnc2C2=CCC3c4c(ccc1c42)-c1ncccc1C3(C)C
InChIInChI=1S/C26H24N2/c1-25(2)17-11-9-16-22-18(26(3,4)20-8-6-14-28-24(16)20)12-10-15(21(17)22)23-19(25)7-5-13-27-23/h5-11,13-14,18H,12H2,1-4H3
InChIKeyKGQXVNNBONZRFZ-UHFFFAOYSA-N
XLogP5.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene?
The IUPAC name of 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene (CID 163707899) is 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene.
What is the SMILES notation for 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene?
The canonical SMILES for 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene is CC1(C)c2cccnc2C2=CCC3c4c(ccc1c42)-c1ncccc1C3(C)C.
What is the InChIKey of 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene?
The InChIKey is KGQXVNNBONZRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-25(2)17-11-9-16-22-18(26(3,4)20-8-6-14-28-24(16)20)12-10-15(21(17)22)23-19(25)7-5-13-27-23/h5-11,13-14,18H,12H2,1-4H3.
What are the key properties of 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene?
8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene has a molecular weight of 364.49 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,19,19-tetramethyl-3,14-diazahexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(22),2(7),3,5,9(23),10,12(24),13(18),14,16-decaene is sourced from PubChem (CID 163707899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).