2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine

C86H56N6 — CID 165151675

About 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine

2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine (PubChem CID 165151675) has the molecular formula C86H56N6 and a molecular weight of 1173.44 g/mol. Its IUPAC name is 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine
• PubChem CID: 165151675
• Molecular Formula: C86H56N6
• Molecular Weight: 1173.44 g/mol
• Exact Mass: 1172.46
• IUPAC Name: 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9-c9ccccc9)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4ccccc4-c4ccccc4)c3)n2)cc1
• InChI: InChI=1S/C86H56N6/c1-5-21-57(22-6-1)69-33-13-15-35-71(69)65-29-19-31-67(51-65)85-89-81(59-25-9-3-10-26-59)87-83(91-85)61-43-39-55(40-44-61)63-47-49-75-77(53-63)79-73-37-17-18-38-74(73)80(75)78-54-64(48-50-76(78)79)56-41-45-62(46-42-56)84-88-82(60-27-11-4-12-28-60)90-86(92-84)68-32-20-30-66(52-68)72-36-16-14-34-70(72)58-23-7-2-8-24-58/h1-54,79-80H
• InChIKey: VBCBJOXNSRACDB-UHFFFAOYSA-N
• XLogP: 21.05
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1173.44
LogP ≤ 5	21.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine?

The IUPAC name of 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine (CID 165151675) is 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine?

The canonical SMILES for 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9-c9ccccc9)c8)n7)cc6)ccc54)cc3)nc(-c3cccc(-c4ccccc4-c4ccccc4)c3)n2)cc1.

What is the InChIKey of 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine?

The InChIKey is VBCBJOXNSRACDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H56N6/c1-5-21-57(22-6-1)69-33-13-15-35-71(69)65-29-19-31-67(51-65)85-89-81(59-25-9-3-10-26-59)87-83(91-85)61-43-39-55(40-44-61)63-47-49-75-77(53-63)79-73-37-17-18-38-74(73)80(75)78-54-64(48-50-76(78)79)56-41-45-62(46-42-56)84-88-82(60-27-11-4-12-28-60)90-86(92-84)68-32-20-30-66(52-68)72-36-16-14-34-70(72)58-23-7-2-8-24-58/h1-54,79-80H.

What are the key properties of 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine?

2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine has a molecular weight of 1173.44 g/mol, XLogP of 21.05, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[3-(2-phenylphenyl)phenyl]-6-[4-[11-[4-[4-phenyl-6-[3-(2-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 165151675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).