2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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

C20H20N12 — CID 46177247

About 2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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 46177247) has the molecular formula C20H20N12 and a molecular weight of 428.46 g/mol. Its IUPAC name is 2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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 Name: 2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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: 46177247
• Molecular Formula: C20H20N12
• Molecular Weight: 428.46 g/mol
• Exact Mass: 428.19
• IUPAC Name: 2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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
• SMILES: CN1c2cc(ncn2)N(C)c2cc(ncn2)N(C)c2cc(ncn2)N(C)c2cc1ncn2
• InChI: InChI=1S/C20H20N12/c1-29-13-5-15(23-9-21-13)30(2)17-7-19(27-11-25-17)32(4)20-8-18(26-12-28-20)31(3)16-6-14(29)22-10-24-16/h5-12H,1-4H3
• InChIKey: QSEHGDGXGWOZLS-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 116.08 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.46
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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 46177247) is 2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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 CN1c2cc(ncn2)N(C)c2cc(ncn2)N(C)c2cc(ncn2)N(C)c2cc1ncn2.

What is the InChIKey of 2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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 QSEHGDGXGWOZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N12/c1-29-13-5-15(23-9-21-13)30(2)17-7-19(27-11-25-17)32(4)20-8-18(26-12-28-20)31(3)16-6-14(29)22-10-24-16/h5-12H,1-4H3.

What are the key properties of 2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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 428.46 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8,14,20-tetramethyl-2,4,6,8,10,12,14,16,18,20,22,24-dodecazapentacyclo[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 46177247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).