27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene

C33H22N2 — CID 167562075

About 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene

27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene (PubChem CID 167562075) has the molecular formula C33H22N2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene.

Molecular Properties

• Compound Name: 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene
• PubChem CID: 167562075
• Molecular Formula: C33H22N2
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.18
• IUPAC Name: 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene
• SMILES: c1ccc2c(c1)Cc1ccc3c(c1-2)-c1c(cc2c4c1Cc1ncccc1N4c1ccccc1C2)C3
• InChI: InChI=1S/C33H22N2/c1-3-8-25-19(6-1)14-21-11-12-22-16-23-17-24-15-20-7-2-4-9-28(20)35-29-10-5-13-34-27(29)18-26(33(24)35)31(23)32(22)30(21)25/h1-13,17H,14-16,18H2
• InChIKey: XRTRVSGFIHGBAC-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 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene?

The IUPAC name of 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene (CID 167562075) is 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene.

What is the SMILES notation for 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene?

The canonical SMILES for 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene is c1ccc2c(c1)Cc1ccc3c(c1-2)-c1c(cc2c4c1Cc1ncccc1N4c1ccccc1C2)C3.

What is the InChIKey of 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene?

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

What are the key properties of 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene?

27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),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 27,32-diazanonacyclo[17.15.1.02,17.03,15.04,12.05,10.021,26.027,35.028,33]pentatriaconta-1,3(15),4(12),5,7,9,13,17,19(35),21,23,25,28(33),29,31-pentadecaene is sourced from PubChem (CID 167562075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).