2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine

C84H54N8 — CID 138750022

IUPAC2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6ccncc6)cc5)ccc5c(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccc(-c8c(-c9ccc(-c%10cccnc%10)cc9)ccc9ccccc89)cc7)n6)cccc45)cc3)n2)cc1
InChIInChI=1S/C84H54N8/c1-4-17-63(18-5-1)79-87-80(64-19-6-2-7-20-64)89-82(88-79)66-43-39-62(40-44-66)78-71(60-33-29-55(30-34-60)57-49-52-85-53-50-57)47-48-74-72(27-14-28-75(74)78)73-25-12-13-26-76(73)84-91-81(65-21-8-3-9-22-65)90-83(92-84)67-41-37-61(38-42-67)77-69-24-11-10-16-58(69)45-46-70(77)59-35-31-56(32-36-59)68-23-15-51-86-54-68/h1-54H
InChIKeyXKMJMOYCMOSZJB-UHFFFAOYSA-N
MW1175.41 g/mol
LogP20.82
Rot. Bonds13

About 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine (PubChem CID 138750022) has the molecular formula C84H54N8 and a molecular weight of 1175.41 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
PubChem CID138750022
Molecular FormulaC84H54N8
Molecular Weight1175.41 g/mol
Exact Mass1174.45
IUPAC Name2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6ccncc6)cc5)ccc5c(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccc(-c8c(-c9ccc(-c%10cccnc%10)cc9)ccc9ccccc89)cc7)n6)cccc45)cc3)n2)cc1
InChIInChI=1S/C84H54N8/c1-4-17-63(18-5-1)79-87-80(64-19-6-2-7-20-64)89-82(88-79)66-43-39-62(40-44-66)78-71(60-33-29-55(30-34-60)57-49-52-85-53-50-57)47-48-74-72(27-14-28-75(74)78)73-25-12-13-26-76(73)84-91-81(65-21-8-3-9-22-65)90-83(92-84)67-41-37-61(38-42-67)77-69-24-11-10-16-58(69)45-46-70(77)59-35-31-56(32-36-59)68-23-15-51-86-54-68/h1-54H
InChIKeyXKMJMOYCMOSZJB-UHFFFAOYSA-N
XLogP20.82
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001175.41
LogP ≤ 520.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine (CID 138750022) is 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6ccncc6)cc5)ccc5c(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccc(-c8c(-c9ccc(-c%10cccnc%10)cc9)ccc9ccccc89)cc7)n6)cccc45)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is XKMJMOYCMOSZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N8/c1-4-17-63(18-5-1)79-87-80(64-19-6-2-7-20-64)89-82(88-79)66-43-39-62(40-44-66)78-71(60-33-29-55(30-34-60)57-49-52-85-53-50-57)47-48-74-72(27-14-28-75(74)78)73-25-12-13-26-76(73)84-91-81(65-21-8-3-9-22-65)90-83(92-84)67-41-37-61(38-42-67)77-69-24-11-10-16-58(69)45-46-70(77)59-35-31-56(32-36-59)68-23-15-51-86-54-68/h1-54H.
What are the key properties of 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine has a molecular weight of 1175.41 g/mol, XLogP of 20.82, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[5-[2-[4-phenyl-6-[4-[2-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-2-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 138750022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).