1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene

C33H22N2 — CID 167575215

About 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene

1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene (PubChem CID 167575215) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene
• PubChem CID: 167575215
• Molecular Formula: C33H22N2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.18
• IUPAC Name: 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene
• SMILES: c1ccc2c(c1)Cc1cc3c4c(c1-2)Cc1ccncc1N4c1c(ccc2c1-c1ccccc1C2)C3
• InChI: InChI=1S/C33H22N2/c1-3-7-26-20(6-1)14-24-16-25-15-23-10-9-22-13-19-5-2-4-8-27(19)31(22)33(23)35-29-18-34-12-11-21(29)17-28(30(24)26)32(25)35/h1-12,16,18H,13-15,17H2
• InChIKey: AUOKOSUHXXRVGF-UHFFFAOYSA-N
• XLogP: 7.50
• TPSA: 16.13 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	7.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene?

The IUPAC name of 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene (CID 167575215) is 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene.

What is the SMILES notation for 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene?

The canonical SMILES for 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene is c1ccc2c(c1)Cc1cc3c4c(c1-2)Cc1ccncc1N4c1c(ccc2c1-c1ccccc1C2)C3.

What is the InChIKey of 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene?

The InChIKey is AUOKOSUHXXRVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N2/c1-3-7-26-20(6-1)14-24-16-25-15-23-10-9-22-13-19-5-2-4-8-27(19)31(22)33(23)35-29-18-34-12-11-21(29)17-28(30(24)26)32(25)35/h1-12,16,18H,13-15,17H2.

What are the key properties of 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene?

1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene has a molecular weight of 446.55 g/mol, XLogP of 7.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-diazanonacyclo[18.14.1.02,7.09,35.010,18.011,16.022,34.025,33.027,32]pentatriaconta-2(7),3,5,9,11,13,15,18,20(35),22(34),23,25(33),27,29,31-pentadecaene is sourced from PubChem (CID 167575215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).