10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene

C42H24N6 — CID 58420666

About 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene

10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene (PubChem CID 58420666) has the molecular formula C42H24N6 and a molecular weight of 612.70 g/mol. Its IUPAC name is 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene.

Molecular Properties

• Compound Name: 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene
• PubChem CID: 58420666
• Molecular Formula: C42H24N6
• Molecular Weight: 612.70 g/mol
• Exact Mass: 612.21
• IUPAC Name: 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene
• SMILES: c1ccc2c(c1)[nH]c1c2c2c3c(c4c5ccccc5[nH]c4c4cccn43)c3c(c4c5ccccc5[nH]c4c4cccn43)c2n2cccc12
• InChI: InChI=1S/C42H24N6/c1-4-13-25-22(10-1)31-34-40(46-19-7-16-28(46)37(31)43-25)35-32-23-11-2-6-15-27(23)45-39(32)30-18-9-21-48(30)42(35)36-33-24-12-3-5-14-26(24)44-38(33)29-17-8-20-47(29)41(34)36/h1-21,43-45H
• InChIKey: HAKPWXHRQRYIGJ-UHFFFAOYSA-N
• XLogP: 10.81
• TPSA: 60.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.70
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene?

The IUPAC name of 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene (CID 58420666) is 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene.

What is the SMILES notation for 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene?

The canonical SMILES for 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene is c1ccc2c(c1)[nH]c1c2c2c3c(c4c5ccccc5[nH]c4c4cccn43)c3c(c4c5ccccc5[nH]c4c4cccn43)c2n2cccc12.

What is the InChIKey of 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene?

The InChIKey is HAKPWXHRQRYIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N6/c1-4-13-25-22(10-1)31-34-40(46-19-7-16-28(46)37(31)43-25)35-32-23-11-2-6-15-27(23)45-39(32)30-18-9-21-48(30)42(35)36-33-24-12-3-5-14-26(24)44-38(33)29-17-8-20-47(29)41(34)36/h1-21,43-45H.

What are the key properties of 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene?

10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene has a molecular weight of 612.70 g/mol, XLogP of 10.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10,16,26,32,42,48-hexazatridecacyclo[32.14.0.02,17.03,11.04,9.012,16.018,33.019,27.020,25.028,32.035,43.036,41.044,48]octatetraconta-1(34),2(17),3(11),4,6,8,12,14,18(33),19(27),20,22,24,28,30,35(43),36,38,40,44,46-henicosaene is sourced from PubChem (CID 58420666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).