2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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

C26H26N6 — CID 5247756

IUPAC2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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(c2)N(C)c2cccc(n2)N(C)c2cccc(c2)N(C)c2cccc1n2
InChIInChI=1S/C26H26N6/c1-29-19-9-5-10-20(17-19)30(2)25-15-8-16-26(28-25)32(4)22-12-6-11-21(18-22)31(3)24-14-7-13-23(29)27-24/h5-18H,1-4H3
InChIKeyMSVSSVRJRHHXII-UHFFFAOYSA-N
MW422.54 g/mol
LogP5.86
Rot. Bonds

About 2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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-2,8,14,20,25,27-hexazapentacyclo[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 5247756) has the molecular formula C26H26N6 and a molecular weight of 422.54 g/mol. Its IUPAC name is 2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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-2,8,14,20,25,27-hexazapentacyclo[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 CID5247756
Molecular FormulaC26H26N6
Molecular Weight422.54 g/mol
Exact Mass422.22
IUPAC Name2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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(c2)N(C)c2cccc(n2)N(C)c2cccc(c2)N(C)c2cccc1n2
InChIInChI=1S/C26H26N6/c1-29-19-9-5-10-20(17-19)30(2)25-15-8-16-26(28-25)32(4)22-12-6-11-21(18-22)31(3)24-14-7-13-23(29)27-24/h5-18H,1-4H3
InChIKeyMSVSSVRJRHHXII-UHFFFAOYSA-N
XLogP5.86
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.54
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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-2,8,14,20,25,27-hexazapentacyclo[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-2,8,14,20,25,27-hexazapentacyclo[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 5247756) is 2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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-2,8,14,20,25,27-hexazapentacyclo[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-2,8,14,20,25,27-hexazapentacyclo[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(c2)N(C)c2cccc(n2)N(C)c2cccc(c2)N(C)c2cccc1n2.
What is the InChIKey of 2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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 MSVSSVRJRHHXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6/c1-29-19-9-5-10-20(17-19)30(2)25-15-8-16-26(28-25)32(4)22-12-6-11-21(18-22)31(3)24-14-7-13-23(29)27-24/h5-18H,1-4H3.
What are the key properties of 2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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-2,8,14,20,25,27-hexazapentacyclo[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 422.54 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,14,20-tetramethyl-2,8,14,20,25,27-hexazapentacyclo[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 5247756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).