1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene

C33H22N2 — CID 167544597

About 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene

1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene (PubChem CID 167544597) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene.

Molecular Properties

• Compound Name: 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene
• PubChem CID: 167544597
• Molecular Formula: C33H22N2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.18
• IUPAC Name: 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene
• SMILES: c1ccc2c(c1)Cc1c-2ccc2c1Cc1cncc3c1N2c1c(ccc2c1Cc1ccccc1-2)C3
• InChI: InChI=1S/C33H22N2/c1-3-7-24-19(5-1)14-28-26(24)11-12-31-29(28)16-23-18-34-17-22-13-21-9-10-27-25-8-4-2-6-20(25)15-30(27)33(21)35(31)32(22)23/h1-12,17-18H,13-16H2
• InChIKey: FVDXGQPCKRZOBW-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 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene?

The IUPAC name of 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene (CID 167544597) is 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene.

What is the SMILES notation for 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene?

The canonical SMILES for 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene is c1ccc2c(c1)Cc1c-2ccc2c1Cc1cncc3c1N2c1c(ccc2c1Cc1ccccc1-2)C3.

What is the InChIKey of 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene?

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

What are the key properties of 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene?

1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-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 1,18-diazanonacyclo[18.14.1.02,14.03,11.05,10.016,35.022,34.023,31.025,30]pentatriaconta-2(14),3(11),5,7,9,12,16,18,20(35),22(34),23(31),25,27,29,32-pentadecaene is sourced from PubChem (CID 167544597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).