19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene

C33H21N — CID 167630756

About 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene

19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene (PubChem CID 167630756) has the molecular formula C33H21N and a molecular weight of 431.54 g/mol. Its IUPAC name is 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene.

Molecular Properties

• Compound Name: 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene
• PubChem CID: 167630756
• Molecular Formula: C33H21N
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.17
• IUPAC Name: 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene
• SMILES: c1ccc2c(c1)Cc1ccc3c(c1-2)-n1c2ccccc2c2cc4c(c(c21)C3)-c1ccccc1C4
• InChI: InChI=1S/C33H21N/c1-3-9-24-20(8-1)16-23-18-27-26-11-5-6-12-29(26)34-32-22(17-28(30(23)24)33(27)34)14-13-21-15-19-7-2-4-10-25(19)31(21)32/h1-14,18H,15-17H2
• InChIKey: UCVNAIIWQDMFFZ-UHFFFAOYSA-N
• XLogP: 7.83
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	7.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene?

The IUPAC name of 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene (CID 167630756) is 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene.

What is the SMILES notation for 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene?

The canonical SMILES for 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene is c1ccc2c(c1)Cc1ccc3c(c1-2)-n1c2ccccc2c2cc4c(c(c21)C3)-c1ccccc1C4.

What is the InChIKey of 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene?

The InChIKey is UCVNAIIWQDMFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N/c1-3-9-24-20(8-1)16-23-18-27-26-11-5-6-12-29(26)34-32-22(17-28(30(23)24)33(27)34)14-13-21-15-19-7-2-4-10-25(19)31(21)32/h1-14,18H,15-17H2.

What are the key properties of 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene?

19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene has a molecular weight of 431.54 g/mol, XLogP of 7.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 19-azanonacyclo[17.14.1.02,10.03,8.012,34.013,18.020,32.021,29.022,27]tetratriaconta-1,3,5,7,10,12(34),13,15,17,20(32),21(29),22,24,26,30-pentadecaene is sourced from PubChem (CID 167630756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).