12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

C55H34N4 — CID 155449844

About 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 155449844) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
• PubChem CID: 155449844
• Molecular Formula: C55H34N4
• Molecular Weight: 750.91 g/mol
• Exact Mass: 750.28
• IUPAC Name: 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4cccc5ccccc45)cc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1
• InChI: InChI=1S/C55H34N4/c1-3-17-36(18-4-1)53-56-54(37-19-5-2-6-20-37)58-55(57-53)52-45-28-14-13-27-44(45)51(34-48(52)43-29-15-25-35-16-11-12-26-42(35)43)59-49-32-40-23-9-7-21-38(40)30-46(49)47-31-39-22-8-10-24-41(39)33-50(47)59/h1-34H
• InChIKey: DYWZREKSZUUANA-UHFFFAOYSA-N
• XLogP: 14.25
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.91
LogP ≤ 5	14.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?

The IUPAC name of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene (CID 155449844) is 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene.

What is the SMILES notation for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?

The canonical SMILES for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4cccc5ccccc45)cc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)c4ccccc34)n2)cc1.

What is the InChIKey of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?

The InChIKey is DYWZREKSZUUANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4/c1-3-17-36(18-4-1)53-56-54(37-19-5-2-6-20-37)58-55(57-53)52-45-28-14-13-27-44(45)51(34-48(52)43-29-15-25-35-16-11-12-26-42(35)43)59-49-32-40-23-9-7-21-38(40)30-46(49)47-31-39-22-8-10-24-41(39)33-50(47)59/h1-34H.

What are the key properties of 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene?

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 750.91 g/mol, XLogP of 14.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-naphthalen-1-ylnaphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 155449844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).