12-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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 155450043

About 12-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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 155450043) has the molecular formula C55H34N4 and a molecular weight of 750.91 g/mol. Its IUPAC name is 12-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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: 155450043
• Molecular Formula: C55H34N4
• Molecular Weight: 750.91 g/mol
• Exact Mass: 750.28
• IUPAC Name: 12-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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(-c3ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)c(-c4ccc5ccccc5c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
• InChI: InChI=1S/C55H34N4/c1-2-14-37(15-3-1)53-56-54(45-25-23-36-13-5-7-17-39(36)29-45)58-55(57-53)46-26-27-50(47(32-46)44-24-22-35-12-4-6-16-38(35)28-44)59-51-33-42-20-10-8-18-40(42)30-48(51)49-31-41-19-9-11-21-43(41)34-52(49)59/h1-34H
• InChIKey: TZJOEOVUMFQNRR-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-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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 155450043) is 12-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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(-c3ccc(-n4c5cc6ccccc6cc5c5cc6ccccc6cc54)c(-c4ccc5ccccc5c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.

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

What are the key properties of 12-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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-[2-naphthalen-2-yl-4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-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 155450043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).