2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

C24H24N8 — CID 101181742

IUPAC2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc1n2
InChIInChI=1S/C24H24N8/c1-29-17-9-5-11-19(25-17)30(2)21-13-7-15-23(27-21)32(4)24-16-8-14-22(28-24)31(3)20-12-6-10-18(29)26-20/h5-16H,1-4H3
InChIKeyNLNVEVFDQDEBAZ-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.65
Rot. Bonds

About 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene

2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (PubChem CID 101181742) has the molecular formula C24H24N8 and a molecular weight of 424.51 g/mol. Its IUPAC name is 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.

Molecular Properties

Compound Name2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
PubChem CID101181742
Molecular FormulaC24H24N8
Molecular Weight424.51 g/mol
Exact Mass424.21
IUPAC Name2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene
SMILESCN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc1n2
InChIInChI=1S/C24H24N8/c1-29-17-9-5-11-19(25-17)30(2)21-13-7-15-23(27-21)32(4)24-16-8-14-22(28-24)31(3)20-12-6-10-18(29)26-20/h5-16H,1-4H3
InChIKeyNLNVEVFDQDEBAZ-UHFFFAOYSA-N
XLogP4.65
TPSA64.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The IUPAC name of 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene (CID 101181742) is 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene.
What is the SMILES notation for 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The canonical SMILES for 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is CN1c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc(n2)N(C)c2cccc1n2.
What is the InChIKey of 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
The InChIKey is NLNVEVFDQDEBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8/c1-29-17-9-5-11-19(25-17)30(2)21-13-7-15-23(27-21)32(4)24-16-8-14-22(28-24)31(3)20-12-6-10-18(29)26-20/h5-16H,1-4H3.
What are the key properties of 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene?
2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene has a molecular weight of 424.51 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,14,20-tetramethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene is sourced from PubChem (CID 101181742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).