11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene

C30H30N4 — CID 163125285

About 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene

11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene (PubChem CID 163125285) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene.

Molecular Properties

• Compound Name: 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene
• PubChem CID: 163125285
• Molecular Formula: C30H30N4
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.25
• IUPAC Name: 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene
• SMILES: CCC1=C(C)C2=N/C1=C\C1=NC3=C(CCC3=C1C)C1=N/C(=C\C3=N/C(=C\2)C(CC)=C3C)C(C)=C1
• InChI: InChI=1S/C30H30N4/c1-7-19-16(4)24-12-23-15(3)11-27(31-23)22-10-9-21-18(6)26(34-30(21)22)14-29-20(8-2)17(5)25(33-29)13-28(19)32-24/h11-14H,7-10H2,1-6H3/b23-12-,24-12-,25-13-,26-14-,27-22-,28-13-,29-14-
• InChIKey: DBGUUTZLUMOFLW-ZSTUFGRDSA-N
• XLogP: 7.23
• TPSA: 49.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene?

The IUPAC name of 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene (CID 163125285) is 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene.

What is the SMILES notation for 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene?

The canonical SMILES for 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene is CCC1=C(C)C2=N/C1=C\C1=NC3=C(CCC3=C1C)C1=N/C(=C\C3=N/C(=C\2)C(CC)=C3C)C(C)=C1.

What is the InChIKey of 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene?

The InChIKey is DBGUUTZLUMOFLW-ZSTUFGRDSA-N. The full InChI is InChI=1S/C30H30N4/c1-7-19-16(4)24-12-23-15(3)11-27(31-23)22-10-9-21-18(6)26(34-30(21)22)14-29-20(8-2)17(5)25(33-29)13-28(19)32-24/h11-14H,7-10H2,1-6H3/b23-12-,24-12-,25-13-,26-14-,27-22-,28-13-,29-14-.

What are the key properties of 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene?

11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene has a molecular weight of 446.60 g/mol, XLogP of 7.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene is sourced from PubChem (CID 163125285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).