3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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

C54H32N4O — CID 168809418

About 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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

3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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 168809418) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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: 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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: 168809418
• Molecular Formula: C54H32N4O
• Molecular Weight: 752.88 g/mol
• Exact Mass: 752.26
• IUPAC Name: 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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(-c2nc3ccccc3nc2-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5cc(-c6ccccc6)c6oc7ccccc7c6c5)c4c32)cc1
• InChI: InChI=1S/C54H32N4O/c1-3-17-33(18-4-1)41-31-35(32-42-36-21-11-16-30-47(36)59-53(41)42)57-45-28-14-9-24-39(45)48-37-22-7-8-23-38(37)49-40-25-10-15-29-46(40)58(52(49)51(48)57)54-50(34-19-5-2-6-20-34)55-43-26-12-13-27-44(43)56-54/h1-32H
• InChIKey: JNMXSTZRNSFWBS-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.88
LogP ≤ 5	14.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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 168809418) is 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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(-c2nc3ccccc3nc2-n2c3ccccc3c3c4ccccc4c4c5ccccc5n(-c5cc(-c6ccccc6)c6oc7ccccc7c6c5)c4c32)cc1.

What is the InChIKey of 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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 JNMXSTZRNSFWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O/c1-3-17-33(18-4-1)41-31-35(32-42-36-21-11-16-30-47(36)59-53(41)42)57-45-28-14-9-24-39(45)48-37-22-7-8-23-38(37)49-40-25-10-15-29-46(40)58(52(49)51(48)57)54-50(34-19-5-2-6-20-34)55-43-26-12-13-27-44(43)56-54/h1-32H.

What are the key properties of 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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?

3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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 752.88 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-phenyldibenzofuran-2-yl)-24-(3-phenylquinoxalin-2-yl)-3,24-diazahexacyclo[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 168809418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).