7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene

C41H24N6 — CID 160547311

About 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene

7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene (PubChem CID 160547311) has the molecular formula C41H24N6 and a molecular weight of 600.69 g/mol. Its IUPAC name is 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene.

Molecular Properties

• Compound Name: 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene
• PubChem CID: 160547311
• Molecular Formula: C41H24N6
• Molecular Weight: 600.69 g/mol
• Exact Mass: 600.21
• IUPAC Name: 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene
• SMILES: c1ccc(-n2c3ccccc3c3c2ccc2c4c5c6ccncc6n6c7cccnc7nc6c5ccc4n(-c4ccccc4)c23)cc1
• InChI: InChI=1S/C41H24N6/c1-3-10-25(11-4-1)45-31-15-8-7-14-27(31)38-33(45)19-17-29-37-32(46(39(29)38)26-12-5-2-6-13-26)20-18-30-36(37)28-21-23-42-24-35(28)47-34-16-9-22-43-40(34)44-41(30)47/h1-24H
• InChIKey: IFLCIKSIKDVNEO-UHFFFAOYSA-N
• XLogP: 9.78
• TPSA: 52.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.69
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene?

The IUPAC name of 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene (CID 160547311) is 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene.

What is the SMILES notation for 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene?

The canonical SMILES for 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene is c1ccc(-n2c3ccccc3c3c2ccc2c4c5c6ccncc6n6c7cccnc7nc6c5ccc4n(-c4ccccc4)c23)cc1.

What is the InChIKey of 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene?

The InChIKey is IFLCIKSIKDVNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N6/c1-3-10-25(11-4-1)45-31-15-8-7-14-27(31)38-33(45)19-17-29-37-32(46(39(29)38)26-12-5-2-6-13-26)20-18-30-36(37)28-21-23-42-24-35(28)47-34-16-9-22-43-40(34)44-41(30)47/h1-24H.

What are the key properties of 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene?

7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene has a molecular weight of 600.69 g/mol, XLogP of 9.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7,16-diphenyl-7,16,22,24,29,32-hexazanonacyclo[18.15.0.02,17.03,15.06,14.08,13.021,29.023,28.030,35]pentatriaconta-1(20),2(17),3(15),4,6(14),8,10,12,18,21,23(28),24,26,30(35),31,33-hexadecaene is sourced from PubChem (CID 160547311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).