8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene

C64H34N8 — CID 170534670

About 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene

8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene (PubChem CID 170534670) has the molecular formula C64H34N8 and a molecular weight of 915.03 g/mol. Its IUPAC name is 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene.

Molecular Properties

• Compound Name: 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene
• PubChem CID: 170534670
• Molecular Formula: C64H34N8
• Molecular Weight: 915.03 g/mol
• Exact Mass: 914.29
• IUPAC Name: 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene
• SMILES: c1ccc(-c2cnc3c(c2)c2cc(-c4ccccc4)cc4c5c6nc7c8cccnc8c8ncccc8c7nc6c6c7cc(-c8ccccc8)cc8c9cc(-c%10ccccc%10)cnc9n(c87)c6c5n3c24)cc1
• InChI: InChI=1S/C64H34N8/c1-5-15-35(16-6-1)39-27-45-47-31-41(37-19-9-3-10-20-37)33-67-63(47)71-59(45)49(29-39)51-57-58(70-56-44-24-14-26-66-54(44)53-43(55(56)69-57)23-13-25-65-53)52-50-30-40(36-17-7-2-8-18-36)28-46-48-32-42(38-21-11-4-12-22-38)34-68-64(48)72(60(46)50)62(52)61(51)71/h1-34H
• InChIKey: GISNPLBMHFOHDD-UHFFFAOYSA-N
• XLogP: 15.64
• TPSA: 86.16 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.03
LogP ≤ 5	15.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene?

The IUPAC name of 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene (CID 170534670) is 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene.

What is the SMILES notation for 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene?

The canonical SMILES for 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene is c1ccc(-c2cnc3c(c2)c2cc(-c4ccccc4)cc4c5c6nc7c8cccnc8c8ncccc8c7nc6c6c7cc(-c8ccccc8)cc8c9cc(-c%10ccccc%10)cnc9n(c87)c6c5n3c24)cc1.

What is the InChIKey of 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene?

The InChIKey is GISNPLBMHFOHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c1-5-15-35(16-6-1)39-27-45-47-31-41(37-19-9-3-10-20-37)33-67-63(47)71-59(45)49(29-39)51-57-58(70-56-44-24-14-26-66-54(44)53-43(55(56)69-57)23-13-25-65-53)52-50-30-40(36-17-7-2-8-18-36)28-46-48-32-42(38-21-11-4-12-22-38)34-68-64(48)72(60(46)50)62(52)61(51)71/h1-34H.

What are the key properties of 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene?

8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene has a molecular weight of 915.03 g/mol, XLogP of 15.64, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8,13,38,43-tetraphenyl-1,4,6,18,24,27,33,45-octazatridecacyclo[34.10.1.14,11.02,35.03,16.05,10.017,34.019,32.020,25.026,31.040,47.041,46.015,48]octatetraconta-2,5(10),6,8,11(48),12,14,16,18,20(25),21,23,26(31),27,29,32,34,36,38,40(47),41(46),42,44-tricosaene is sourced from PubChem (CID 170534670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).