27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene

C33H22N2 — CID 167637884

About 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene

27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene (PubChem CID 167637884) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene.

Molecular Properties

• Compound Name: 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene
• PubChem CID: 167637884
• Molecular Formula: C33H22N2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.18
• IUPAC Name: 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene
• SMILES: c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cnccc1N4c1ccccc1C3
• InChI: InChI=1S/C33H22N2/c1-3-7-24-19(5-1)14-27-25(24)10-9-21-15-26-28(32(21)27)16-22-13-20-6-2-4-8-30(20)35-31-11-12-34-18-23(31)17-29(26)33(22)35/h1-12,16,18H,13-15,17H2
• InChIKey: PMUQMFDJAVWMDR-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 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene?

The IUPAC name of 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene (CID 167637884) is 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene.

What is the SMILES notation for 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene?

The canonical SMILES for 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene is c1ccc2c(c1)Cc1c-2ccc2c1-c1cc3c4c(c1C2)Cc1cnccc1N4c1ccccc1C3.

What is the InChIKey of 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene?

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

What are the key properties of 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene?

27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),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 27,31-diazanonacyclo[17.15.1.02,17.04,16.07,15.08,13.021,26.027,35.028,33]pentatriaconta-1(35),2(17),4(16),5,7(15),8,10,12,18,21,23,25,28(33),29,31-pentadecaene is sourced from PubChem (CID 167637884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).