14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

C55H34N6 — CID 134552659

About 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (PubChem CID 134552659) has the molecular formula C55H34N6 and a molecular weight of 778.92 g/mol. Its IUPAC name is 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• PubChem CID: 134552659
• Molecular Formula: C55H34N6
• Molecular Weight: 778.92 g/mol
• Exact Mass: 778.28
• IUPAC Name: 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5cc5c6c7ccccc7ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)n2)cc1
• InChI: InChI=1S/C55H34N6/c1-4-18-36(19-5-1)50-44-29-14-15-30-46(44)56-55(57-50)61-47-32-31-35-17-10-12-27-42(35)49(47)45-34-39-24-11-13-28-43(39)48(51(45)61)40-25-16-26-41(33-40)54-59-52(37-20-6-2-7-21-37)58-53(60-54)38-22-8-3-9-23-38/h1-34H
• InChIKey: HRZCBCSXVFLGCJ-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 69.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.92
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The IUPAC name of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene (CID 134552659) is 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene.

What is the SMILES notation for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The canonical SMILES for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c5ccccc5cc5c6c7ccccc7ccc6n(-c6nc(-c7ccccc7)c7ccccc7n6)c45)c3)n2)cc1.

What is the InChIKey of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

The InChIKey is HRZCBCSXVFLGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N6/c1-4-18-36(19-5-1)50-44-29-14-15-30-46(44)56-55(57-50)61-47-32-31-35-17-10-12-27-42(35)49(47)45-34-39-24-11-13-28-43(39)48(51(45)61)40-25-16-26-41(33-40)54-59-52(37-20-6-2-7-21-37)58-53(60-54)38-22-8-3-9-23-38/h1-34H.

What are the key properties of 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene?

14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene has a molecular weight of 778.92 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(4-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene is sourced from PubChem (CID 134552659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).