2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine

C84H54N8 — CID 138750119

IUPAC2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c(-c6ccc(-c7ccncc7)cc6)c5c4)cc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5cccnc5)cc4)cc3)n2)cc1
InChIInChI=1S/C84H54N8/c1-4-14-65(15-5-1)79-87-80(66-16-6-2-7-17-66)89-83(88-79)69-41-30-61(31-42-69)75-47-45-62-32-43-71(53-76(62)78(75)64-33-22-55(23-34-64)58-48-51-85-52-49-58)56-26-37-68(38-27-56)82-90-81(67-18-8-3-9-19-67)91-84(92-82)70-39-28-60(29-40-70)74-46-44-59-13-10-11-21-73(59)77(74)63-35-24-57(25-36-63)72-20-12-50-86-54-72/h1-54H
InChIKeyLMRRQIKTMYTOIX-UHFFFAOYSA-N
MW1175.41 g/mol
LogP20.82
Rot. Bonds13

About 2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine (PubChem CID 138750119) has the molecular formula C84H54N8 and a molecular weight of 1175.41 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
PubChem CID138750119
Molecular FormulaC84H54N8
Molecular Weight1175.41 g/mol
Exact Mass1174.45
IUPAC Name2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c(-c6ccc(-c7ccncc7)cc6)c5c4)cc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5cccnc5)cc4)cc3)n2)cc1
InChIInChI=1S/C84H54N8/c1-4-14-65(15-5-1)79-87-80(66-16-6-2-7-17-66)89-83(88-79)69-41-30-61(31-42-69)75-47-45-62-32-43-71(53-76(62)78(75)64-33-22-55(23-34-64)58-48-51-85-52-49-58)56-26-37-68(38-27-56)82-90-81(67-18-8-3-9-19-67)91-84(92-82)70-39-28-60(29-40-70)74-46-44-59-13-10-11-21-73(59)77(74)63-35-24-57(25-36-63)72-20-12-50-86-54-72/h1-54H
InChIKeyLMRRQIKTMYTOIX-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-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-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-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine (CID 138750119) is 2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c(-c6ccc(-c7ccncc7)cc6)c5c4)cc3)nc(-c3ccc(-c4ccc5ccccc5c4-c4ccc(-c5cccnc5)cc4)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine?
The InChIKey is LMRRQIKTMYTOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N8/c1-4-14-65(15-5-1)79-87-80(66-16-6-2-7-17-66)89-83(88-79)69-41-30-61(31-42-69)75-47-45-62-32-43-71(53-76(62)78(75)64-33-22-55(23-34-64)58-48-51-85-52-49-58)56-26-37-68(38-27-56)82-90-81(67-18-8-3-9-19-67)91-84(92-82)70-39-28-60(29-40-70)74-46-44-59-13-10-11-21-73(59)77(74)63-35-24-57(25-36-63)72-20-12-50-86-54-72/h1-54H.
What are the key properties of 2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-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-[7-[4-[4-phenyl-6-[4-[1-(4-pyridin-3-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1-(4-pyridin-4-ylphenyl)naphthalen-2-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 138750119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).