26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

C43H31N5 — CID 129200154

About 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 129200154) has the molecular formula C43H31N5 and a molecular weight of 617.76 g/mol. Its IUPAC name is 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• PubChem CID: 129200154
• Molecular Formula: C43H31N5
• Molecular Weight: 617.76 g/mol
• Exact Mass: 617.26
• IUPAC Name: 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• SMILES: C1=CC(C2Nc3ccccc3NC2n2c3cccc4c5cccc6c7ccccc7n(c7cccc2c7c43)c56)NC=C1c1ccccc1
• InChI: InChI=1S/C43H31N5/c1-2-11-26(12-3-1)27-23-24-34(44-25-27)41-43(46-33-18-6-5-17-32(33)45-41)48-36-20-9-14-29-31-16-8-15-30-28-13-4-7-19-35(28)47(42(30)31)37-21-10-22-38(48)40(37)39(29)36/h1-25,34,41,43-46H
• InChIKey: NMZICQXAWUNPBE-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 45.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.76
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The IUPAC name of 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 129200154) is 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is C1=CC(C2Nc3ccccc3NC2n2c3cccc4c5cccc6c7ccccc7n(c7cccc2c7c43)c56)NC=C1c1ccccc1.

What is the InChIKey of 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The InChIKey is NMZICQXAWUNPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N5/c1-2-11-26(12-3-1)27-23-24-34(44-25-27)41-43(46-33-18-6-5-17-32(33)45-41)48-36-20-9-14-29-31-16-8-15-30-28-13-4-7-19-35(28)47(42(30)31)37-21-10-22-38(48)40(37)39(29)36/h1-25,34,41,43-46H.

What are the key properties of 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 617.76 g/mol, XLogP of 9.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[3-(5-phenyl-1,2-dihydropyridin-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 129200154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).