12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

C61H38N4 — CID 155450575

About 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (PubChem CID 155450575) has the molecular formula C61H38N4 and a molecular weight of 827.00 g/mol. Its IUPAC name is 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
• PubChem CID: 155450575
• Molecular Formula: C61H38N4
• Molecular Weight: 827.00 g/mol
• Exact Mass: 826.31
• IUPAC Name: 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5cc6ccccc6cc5c5ccc6ccccc6c54)cc3-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C61H38N4/c1-3-17-41(18-4-1)52-37-55(61-63-59(43-22-5-2-6-23-43)62-60(64-61)51-32-16-27-40-20-10-13-29-47(40)51)53(49-31-15-26-39-19-9-12-28-46(39)49)38-57(52)65-56-36-45-25-8-7-24-44(45)35-54(56)50-34-33-42-21-11-14-30-48(42)58(50)65/h1-38H
• InChIKey: BJJADQJAEWLLJA-UHFFFAOYSA-N
• XLogP: 15.92
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.00
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

The IUPAC name of 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (CID 155450575) is 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

What is the SMILES notation for 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

The canonical SMILES for 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is c1ccc(-c2nc(-c3cc(-c4ccccc4)c(-n4c5cc6ccccc6cc5c5ccc6ccccc6c54)cc3-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

The InChIKey is BJJADQJAEWLLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N4/c1-3-17-41(18-4-1)52-37-55(61-63-59(43-22-5-2-6-23-43)62-60(64-61)51-32-16-27-40-20-10-13-29-47(40)51)53(49-31-15-26-39-19-9-12-28-46(39)49)38-57(52)65-56-36-45-25-8-7-24-44(45)35-54(56)50-34-33-42-21-11-14-30-48(42)58(50)65/h1-38H.

What are the key properties of 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?

12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene has a molecular weight of 827.00 g/mol, XLogP of 15.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[5-naphthalen-1-yl-4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is sourced from PubChem (CID 155450575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).