9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C57H37N5 — CID 175616585

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 175616585) has the molecular formula C57H37N5 and a molecular weight of 791.96 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 175616585
• Molecular Formula: C57H37N5
• Molecular Weight: 791.96 g/mol
• Exact Mass: 791.30
• IUPAC Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc54)c3)cc2)cc1
• InChI: InChI=1S/C57H37N5/c1-4-17-38(18-5-1)39-31-33-40(34-32-39)43-23-16-24-44(37-43)45-25-10-13-28-48(45)61-49-29-14-11-26-46(49)53-51(61)35-36-52-54(53)47-27-12-15-30-50(47)62(52)57-59-55(41-19-6-2-7-20-41)58-56(60-57)42-21-8-3-9-22-42/h1-37H
• InChIKey: KHZLJBCOYCBHNW-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.96
LogP ≤ 5	14.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 175616585) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2ccc(-c3cccc(-c4ccccc4-n4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc54)c3)cc2)cc1.

What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is KHZLJBCOYCBHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N5/c1-4-17-38(18-5-1)39-31-33-40(34-32-39)43-23-16-24-44(37-43)45-25-10-13-28-48(45)61-49-29-14-11-26-46(49)53-51(61)35-36-52-54(53)47-27-12-15-30-50(47)62(52)57-59-55(41-19-6-2-7-20-41)58-56(60-57)42-21-8-3-9-22-42/h1-37H.

What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 791.96 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-[2-[3-(4-phenylphenyl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 175616585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).