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

C96H62N8 — CID 138749930

IUPAC2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cccc6c(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)ccc56)n4)cc3)c2)cc1
InChIInChI=1S/C96H62N8/c1-8-27-63(28-9-1)75-59-85(65-30-10-2-11-31-65)98-88(60-75)84-56-55-64-29-22-23-42-77(64)90(84)69-49-53-74(54-50-69)95-102-93(72-40-20-7-21-41-72)103-96(104-95)83-44-25-24-43-80(83)79-45-26-46-82-81(79)58-57-78(76-61-86(66-32-12-3-13-33-66)97-87(62-76)67-34-14-4-15-35-67)89(82)68-47-51-73(52-48-68)94-100-91(70-36-16-5-17-37-70)99-92(101-94)71-38-18-6-19-39-71/h1-62H
InChIKeyZRZHPKIYXJXTGF-UHFFFAOYSA-N
MW1327.61 g/mol
LogP24.16
Rot. Bonds15

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

2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 138749930) has the molecular formula C96H62N8 and a molecular weight of 1327.61 g/mol. Its IUPAC name is 2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID138749930
Molecular FormulaC96H62N8
Molecular Weight1327.61 g/mol
Exact Mass1326.51
IUPAC Name2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cccc6c(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)ccc56)n4)cc3)c2)cc1
InChIInChI=1S/C96H62N8/c1-8-27-63(28-9-1)75-59-85(65-30-10-2-11-31-65)98-88(60-75)84-56-55-64-29-22-23-42-77(64)90(84)69-49-53-74(54-50-69)95-102-93(72-40-20-7-21-41-72)103-96(104-95)83-44-25-24-43-80(83)79-45-26-46-82-81(79)58-57-78(76-61-86(66-32-12-3-13-33-66)97-87(62-76)67-34-14-4-15-35-67)89(82)68-47-51-73(52-48-68)94-100-91(70-36-16-5-17-37-70)99-92(101-94)71-38-18-6-19-39-71/h1-62H
InChIKeyZRZHPKIYXJXTGF-UHFFFAOYSA-N
XLogP24.16
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001327.61
LogP ≤ 524.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

2,4-diphenyl-6-[1-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 129101509
2-[4-[2-(4-fluoranthen-3-ylphenyl)naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine
CID 168756353
2-[1-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277694
2-[1-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277443
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
2,4-diphenyl-6-[3-[1-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]phenyl]pyrimidine
CID 155416651
2-[4-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 165089367
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2-(1-phenylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176632434
4-[4-[1-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168756476
4-(4-benzo[a]anthracen-7-ylnaphthalen-1-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 167250433
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 138749930) is 2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4ccccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5-c5cccc6c(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c(-c7cc(-c8ccccc8)nc(-c8ccccc8)c7)ccc56)n4)cc3)c2)cc1.
What is the InChIKey of 2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZRZHPKIYXJXTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H62N8/c1-8-27-63(28-9-1)75-59-85(65-30-10-2-11-31-65)98-88(60-75)84-56-55-64-29-22-23-42-77(64)90(84)69-49-53-74(54-50-69)95-102-93(72-40-20-7-21-41-72)103-96(104-95)83-44-25-24-43-80(83)79-45-26-46-82-81(79)58-57-78(76-61-86(66-32-12-3-13-33-66)97-87(62-76)67-34-14-4-15-35-67)89(82)68-47-51-73(52-48-68)94-100-91(70-36-16-5-17-37-70)99-92(101-94)71-38-18-6-19-39-71/h1-62H.
What are the key properties of 2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 1327.61 g/mol, XLogP of 24.16, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,6-diphenyl-4-pyridinyl)-5-[2-[4-[4-[2-(4,6-diphenyl-2-pyridinyl)naphthalen-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 138749930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).