24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C34H20N6 — CID 122523894

About 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 122523894) has the molecular formula C34H20N6 and a molecular weight of 512.58 g/mol. Its IUPAC name is 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 122523894
• Molecular Formula: C34H20N6
• Molecular Weight: 512.58 g/mol
• Exact Mass: 512.17
• IUPAC Name: 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3c4cncnc4c4c5ccccc5n(-c5cccc6nccnc56)c4c32)cc1
• InChI: InChI=1S/C34H20N6/c1-2-9-21(10-3-1)39-26-14-6-4-11-22(26)29-24-19-35-20-38-31(24)30-23-12-5-7-15-27(23)40(34(30)33(29)39)28-16-8-13-25-32(28)37-18-17-36-25/h1-20H
• InChIKey: KJBPRGFHOLYMRA-UHFFFAOYSA-N
• XLogP: 7.77
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	512.58
LogP ≤ 5	7.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 122523894) is 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-n2c3ccccc3c3c4cncnc4c4c5ccccc5n(-c5cccc6nccnc56)c4c32)cc1.

What is the InChIKey of 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is KJBPRGFHOLYMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N6/c1-2-9-21(10-3-1)39-26-14-6-4-11-22(26)29-24-19-35-20-38-31(24)30-23-12-5-7-15-27(23)40(34(30)33(29)39)28-16-8-13-25-32(28)37-18-17-36-25/h1-20H.

What are the key properties of 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 512.58 g/mol, XLogP of 7.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 24-phenyl-3-quinoxalin-5-yl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 122523894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).