9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

C54H32N4 — CID 163610267

About 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene

9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (PubChem CID 163610267) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.

Molecular Properties

• Compound Name: 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
• PubChem CID: 163610267
• Molecular Formula: C54H32N4
• Molecular Weight: 736.88 g/mol
• Exact Mass: 736.26
• IUPAC Name: 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
• SMILES: c1ccc(-c2cc3c4ccccc4c4cccc5c4c4c6c3c(c2)n(-c2nc3ccc7ccccc7c3nc2-c2ccccc2)c6ccc4n5-c2ccccc2)cc1
• InChI: InChI=1S/C54H32N4/c1-4-15-33(16-5-1)36-31-42-40-24-13-12-23-39(40)41-25-14-26-44-48(41)50-45(57(44)37-20-8-3-9-21-37)29-30-46-51(50)49(42)47(32-36)58(46)54-52(35-18-6-2-7-19-35)56-53-38-22-11-10-17-34(38)27-28-43(53)55-54/h1-32H/b41-39-,42-40-
• InChIKey: QYJHMMDKARSUNU-FSVNFQGMSA-N
• XLogP: 14.06
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.88
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?

The IUPAC name of 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene (CID 163610267) is 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene.

What is the SMILES notation for 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?

The canonical SMILES for 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is c1ccc(-c2cc3c4ccccc4c4cccc5c4c4c6c3c(c2)n(-c2nc3ccc7ccccc7c3nc2-c2ccccc2)c6ccc4n5-c2ccccc2)cc1.

What is the InChIKey of 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?

The InChIKey is QYJHMMDKARSUNU-FSVNFQGMSA-N. The full InChI is InChI=1S/C54H32N4/c1-4-15-33(16-5-1)36-31-42-40-24-13-12-23-39(40)41-25-14-26-44-48(41)50-45(57(44)37-20-8-3-9-21-37)29-30-46-51(50)49(42)47(32-36)58(46)54-52(35-18-6-2-7-19-35)56-53-38-22-11-10-17-34(38)27-28-43(53)55-54/h1-32H/b41-39-,42-40-.

What are the key properties of 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene?

9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene has a molecular weight of 736.88 g/mol, XLogP of 14.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9,25-diphenyl-26-(2-phenylbenzo[f]quinoxalin-3-yl)-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene is sourced from PubChem (CID 163610267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).