4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine

C294H186N30 — CID 167579414

About 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine

4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 167579414) has the molecular formula C294H186N30 and a molecular weight of 4138.93 g/mol. Its IUPAC name is 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
• PubChem CID: 167579414
• Molecular Formula: C294H186N30
• Molecular Weight: 4138.93 g/mol
• Exact Mass: 4135.55
• IUPAC Name: 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
• SMILES: [C-]#[N+]c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccc(C#N)cc%10)c9)n8)c7)ccc65)c4)n3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8ccccc8)n7)c6)ccc54)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cccnc9)c8)n7)c6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccncc4)c3)nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccncc9)c8)n7)c6)ccc54)c3)n2)cc1
• InChI: InChI=1S/C76H46N8.C74H48N6.2C72H46N8/c1-78-62-36-32-49(33-37-62)53-19-11-23-59(41-53)74-80-72(51-16-6-3-7-17-51)82-76(84-74)61-25-13-21-55(43-61)57-35-39-66-68(45-57)70-64-27-9-8-26-63(64)69(66)67-44-56(34-38-65(67)70)54-20-12-24-60(42-54)75-81-71(50-14-4-2-5-15-50)79-73(83-75)58-22-10-18-52(40-58)48-30-28-47(46-77)29-31-48;1-5-21-47(22-6-1)57-33-13-17-37-63(57)73-77-69(49-25-9-3-10-26-49)75-71(79-73)55-31-19-29-51(43-55)53-39-41-61-65(45-53)67-59-35-15-16-36-60(59)68(61)66-46-54(40-42-62(66)67)52-30-20-32-56(44-52)72-76-70(50-27-11-4-12-28-50)78-74(80-72)64-38-18-14-34-58(64)48-23-7-2-8-24-48;1-3-15-45(16-4-1)67-75-69(79-71(77-67)55-25-11-21-49(39-55)57-27-13-35-73-43-57)53-23-9-19-47(37-53)51-31-33-61-63(41-51)65-59-29-7-8-30-60(59)66(61)64-42-52(32-34-62(64)65)48-20-10-24-54(38-48)70-76-68(46-17-5-2-6-18-46)78-72(80-70)56-26-12-22-50(40-56)58-28-14-36-74-44-58;1-3-13-47(14-4-1)67-75-69(55-21-9-17-49(39-55)45-31-35-73-36-32-45)79-71(77-67)57-23-11-19-51(41-57)53-27-29-61-63(43-53)65-59-25-7-8-26-60(59)66(61)64-44-54(28-30-62(64)65)52-20-12-24-58(42-52)72-78-68(48-15-5-2-6-16-48)76-70(80-72)56-22-10-18-50(40-56)46-33-37-74-38-34-46/h2-45,69-70H;1-46,67-68H;2*1-44,65-66H
• InChIKey: GZAJYYPDAWXZBS-UHFFFAOYSA-N
• XLogP: 68.86
• TPSA: 389.07 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 40
• Heavy Atoms: 324
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4138.93
LogP ≤ 5	68.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?

The IUPAC name of 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (CID 167579414) is 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.

What is the SMILES notation for 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?

The canonical SMILES for 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is [C-]#[N+]c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)C5c7ccccc7C6c6cc(-c7cccc(-c8nc(-c9ccccc9)nc(-c9cccc(-c%10ccc(C#N)cc%10)c9)n8)c7)ccc65)c4)n3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8ccccc8)n7)c6)ccc54)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9cccnc9)c8)n7)c6)ccc54)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccncc4)c3)nc(-c3cccc(-c4ccc5c(c4)C4c6ccccc6C5c5cc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccncc9)c8)n7)c6)ccc54)c3)n2)cc1.

What is the InChIKey of 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?

The InChIKey is GZAJYYPDAWXZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H46N8.C74H48N6.2C72H46N8/c1-78-62-36-32-49(33-37-62)53-19-11-23-59(41-53)74-80-72(51-16-6-3-7-17-51)82-76(84-74)61-25-13-21-55(43-61)57-35-39-66-68(45-57)70-64-27-9-8-26-63(64)69(66)67-44-56(34-38-65(67)70)54-20-12-24-60(42-54)75-81-71(50-14-4-2-5-15-50)79-73(83-75)58-22-10-18-52(40-58)48-30-28-47(46-77)29-31-48;1-5-21-47(22-6-1)57-33-13-17-37-63(57)73-77-69(49-25-9-3-10-26-49)75-71(79-73)55-31-19-29-51(43-55)53-39-41-61-65(45-53)67-59-35-15-16-36-60(59)68(61)66-46-54(40-42-62(66)67)52-30-20-32-56(44-52)72-76-70(50-27-11-4-12-28-50)78-74(80-72)64-38-18-14-34-58(64)48-23-7-2-8-24-48;1-3-15-45(16-4-1)67-75-69(79-71(77-67)55-25-11-21-49(39-55)57-27-13-35-73-43-57)53-23-9-19-47(37-53)51-31-33-61-63(41-51)65-59-29-7-8-30-60(59)66(61)64-42-52(32-34-62(64)65)48-20-10-24-54(38-48)70-76-68(46-17-5-2-6-18-46)78-72(80-70)56-26-12-22-50(40-56)58-28-14-36-74-44-58;1-3-13-47(14-4-1)67-75-69(55-21-9-17-49(39-55)45-31-35-73-36-32-45)79-71(77-67)57-23-11-19-51(41-57)53-27-29-61-63(43-53)65-59-25-7-8-26-60(59)66(61)64-44-54(28-30-62(64)65)52-20-12-24-58(42-52)72-78-68(48-15-5-2-6-16-48)76-70(80-72)56-22-10-18-50(40-56)46-33-37-74-38-34-46/h2-45,69-70H;1-46,67-68H;2*1-44,65-66H.

What are the key properties of 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?

4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 4138.93 g/mol, XLogP of 68.86, 40 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-[3-[11-[3-[4-[3-(4-isocyanophenyl)phenyl]-6-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]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;2-phenyl-4-(2-phenylphenyl)-6-[3-[11-[3-[4-phenyl-6-(2-phenylphenyl)-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-[11-[3-[4-phenyl-6-(3-pyridin-3-ylphenyl)-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]-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[11-[3-[4-phenyl-6-(3-pyridin-4-ylphenyl)-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]-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167579414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).