2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine

C120H80N12 — CID 162122140

IUPAC2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)n4)c3)c2)cc1
InChIInChI=1S/C66H44N6.C54H36N6/c1-6-21-45(22-7-1)56-42-57(44-58(43-56)65-70-63(49-29-14-5-15-30-49)71-66(72-65)60-38-17-16-37-59(60)46-23-8-2-9-24-46)54-35-19-33-52(40-54)50-31-18-32-51(39-50)53-34-20-36-55(41-53)64-68-61(47-25-10-3-11-26-47)67-62(69-64)48-27-12-4-13-28-48;1-5-17-37(18-6-1)41-25-13-26-42(33-41)43-27-14-31-47(34-43)53-58-51(40-23-11-4-12-24-40)59-54(60-53)48-32-16-29-45(36-48)44-28-15-30-46(35-44)52-56-49(38-19-7-2-8-20-38)55-50(57-52)39-21-9-3-10-22-39/h1-44H;1-36H
InChIKeyZHNZRULJNWBLLI-UHFFFAOYSA-N
MW1690.04 g/mol
LogP29.45
Rot. Bonds20

About 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine (PubChem CID 162122140) has the molecular formula C120H80N12 and a molecular weight of 1690.04 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
PubChem CID162122140
Molecular FormulaC120H80N12
Molecular Weight1690.04 g/mol
Exact Mass1688.66
IUPAC Name2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)n4)c3)c2)cc1
InChIInChI=1S/C66H44N6.C54H36N6/c1-6-21-45(22-7-1)56-42-57(44-58(43-56)65-70-63(49-29-14-5-15-30-49)71-66(72-65)60-38-17-16-37-59(60)46-23-8-2-9-24-46)54-35-19-33-52(40-54)50-31-18-32-51(39-50)53-34-20-36-55(41-53)64-68-61(47-25-10-3-11-26-47)67-62(69-64)48-27-12-4-13-28-48;1-5-17-37(18-6-1)41-25-13-26-42(33-41)43-27-14-31-47(34-43)53-58-51(40-23-11-4-12-24-40)59-54(60-53)48-32-16-29-45(36-48)44-28-15-30-46(35-44)52-56-49(38-19-7-2-8-20-38)55-50(57-52)39-21-9-3-10-22-39/h1-44H;1-36H
InChIKeyZHNZRULJNWBLLI-UHFFFAOYSA-N
XLogP29.45
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms132
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001690.04
LogP ≤ 529.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine (CID 162122140) is 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c3)cc(-c3nc(-c4ccccc4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c5)n4)c3)c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine?
The InChIKey is ZHNZRULJNWBLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N6.C54H36N6/c1-6-21-45(22-7-1)56-42-57(44-58(43-56)65-70-63(49-29-14-5-15-30-49)71-66(72-65)60-38-17-16-37-59(60)46-23-8-2-9-24-46)54-35-19-33-52(40-54)50-31-18-32-51(39-50)53-34-20-36-55(41-53)64-68-61(47-25-10-3-11-26-47)67-62(69-64)48-27-12-4-13-28-48;1-5-17-37(18-6-1)41-25-13-26-42(33-41)43-27-14-31-47(34-43)53-58-51(40-23-11-4-12-24-40)59-54(60-53)48-32-16-29-45(36-48)44-28-15-30-46(35-44)52-56-49(38-19-7-2-8-20-38)55-50(57-52)39-21-9-3-10-22-39/h1-44H;1-36H.
What are the key properties of 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine has a molecular weight of 1690.04 g/mol, XLogP of 29.45, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[3-[3-[3-[3-phenyl-5-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 162122140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).