12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C54H34N6 — CID 71270581

About 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 71270581) has the molecular formula C54H34N6 and a molecular weight of 766.91 g/mol. Its IUPAC name is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 71270581
• Molecular Formula: C54H34N6
• Molecular Weight: 766.91 g/mol
• Exact Mass: 766.28
• IUPAC Name: 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5ccccc5c43)n2)cc1
• InChI: InChI=1S/C54H34N6/c1-4-17-37(18-5-1)51-56-52(38-19-6-2-7-20-38)58-54(57-51)60-48-33-32-35-16-10-11-23-41(35)49(48)45-34-44(42-24-12-13-25-43(42)50(45)60)36-28-30-39(31-29-36)53-55-46-26-14-15-27-47(46)59(53)40-21-8-3-9-22-40/h1-34H
• InChIKey: CRIPOQHGNMUWRY-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.91
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 71270581) is 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c5ccccc5c43)n2)cc1.

What is the InChIKey of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is CRIPOQHGNMUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N6/c1-4-17-37(18-5-1)51-56-52(38-19-6-2-7-20-38)58-54(57-51)60-48-33-32-35-16-10-11-23-41(35)49(48)45-34-44(42-24-12-13-25-43(42)50(45)60)36-28-30-39(31-29-36)53-55-46-26-14-15-27-47(46)59(53)40-21-8-3-9-22-40/h1-34H.

What are the key properties of 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 766.91 g/mol, XLogP of 13.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-[4-(1-phenylbenzimidazol-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 71270581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).