12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene

C44H26N4 — CID 170381299

About 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene

12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene (PubChem CID 170381299) has the molecular formula C44H26N4 and a molecular weight of 610.72 g/mol. Its IUPAC name is 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene.

Molecular Properties

• Compound Name: 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene
• PubChem CID: 170381299
• Molecular Formula: C44H26N4
• Molecular Weight: 610.72 g/mol
• Exact Mass: 610.22
• IUPAC Name: 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene
• SMILES: c1ccc(-c2nc3ccccc3nc2-n2c3cccc4ccc5c6c7ccccc7ccc6n(c6cc7ccccc7cc62)c5c43)cc1
• InChI: InChI=1S/C44H26N4/c1-2-12-29(13-3-1)42-44(46-35-19-9-8-18-34(35)45-42)48-36-20-10-16-28-21-23-33-41-32-17-7-6-11-27(32)22-24-37(41)47(43(33)40(28)36)38-25-30-14-4-5-15-31(30)26-39(38)48/h1-26H
• InChIKey: IJMDFPBBYHAVIP-UHFFFAOYSA-N
• XLogP: 11.26
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.72
LogP ≤ 5	11.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene?

The IUPAC name of 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene (CID 170381299) is 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene.

What is the SMILES notation for 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene?

The canonical SMILES for 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene is c1ccc(-c2nc3ccccc3nc2-n2c3cccc4ccc5c6c7ccccc7ccc6n(c6cc7ccccc7cc62)c5c43)cc1.

What is the InChIKey of 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene?

The InChIKey is IJMDFPBBYHAVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4/c1-2-12-29(13-3-1)42-44(46-35-19-9-8-18-34(35)45-42)48-36-20-10-16-28-21-23-33-41-32-17-7-6-11-27(32)22-24-37(41)47(43(33)40(28)36)38-25-30-14-4-5-15-31(30)26-39(38)48/h1-26H.

What are the key properties of 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene?

12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene has a molecular weight of 610.72 g/mol, XLogP of 11.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(3-phenylquinoxalin-2-yl)-1,12-diazaoctacyclo[15.13.2.02,11.04,9.013,32.020,31.021,30.022,27]dotriaconta-2,4,6,8,10,13,15,17(32),18,20(31),21(30),22,24,26,28-pentadecaene is sourced from PubChem (CID 170381299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).