17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene

C33H22N2 — CID 167536988

About 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene

17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene (PubChem CID 167536988) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene.

Molecular Properties

• Compound Name: 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene
• PubChem CID: 167536988
• Molecular Formula: C33H22N2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.18
• IUPAC Name: 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene
• SMILES: c1ccc2c(c1)Cc1c-2cc2c3c1Cc1c(ccc4c1-c1ccccc1C4)N3c1cnccc1C2
• InChI: InChI=1S/C33H22N2/c1-3-7-24-20(6-1)15-27-26(24)16-23-14-21-11-12-34-18-31(21)35-30-10-9-22-13-19-5-2-4-8-25(19)32(22)29(30)17-28(27)33(23)35/h1-12,16,18H,13-15,17H2
• InChIKey: AGVPHVUCXMSAAA-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 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene?

The IUPAC name of 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene (CID 167536988) is 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene.

What is the SMILES notation for 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene?

The canonical SMILES for 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene is c1ccc2c(c1)Cc1c-2cc2c3c1Cc1c(ccc4c1-c1ccccc1C4)N3c1cnccc1C2.

What is the InChIKey of 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene?

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

What are the key properties of 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene?

17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-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 17,20-diazanonacyclo[18.14.1.02,10.04,9.012,35.014,19.021,33.024,32.026,31]pentatriaconta-1(35),2(10),4,6,8,11,14(19),15,17,21(33),22,24(32),26,28,30-pentadecaene is sourced from PubChem (CID 167536988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).