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

C84H54N8 — CID 138750117

IUPAC2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8c(-c9ccc(-c%10cccnc%10)cc9)cccc78)cc6)n5)cc4)cc3)nc(-c3ccc(-c4cccc5c(-c6ccc(-c7ccncc7)cc6)cccc45)cc3)n2)cc1
InChIInChI=1S/C84H54N8/c1-3-12-64(13-4-1)79-87-81(91-83(89-79)68-45-37-62(38-46-68)73-19-9-21-75-71(17-7-23-77(73)75)60-33-25-57(26-34-60)59-49-52-85-53-50-59)66-41-29-55(30-42-66)56-31-43-67(44-32-56)82-88-80(65-14-5-2-6-15-65)90-84(92-82)69-47-39-63(40-48-69)74-20-10-22-76-72(18-8-24-78(74)76)61-35-27-58(28-36-61)70-16-11-51-86-54-70/h1-54H
InChIKeyHUILIGNAMZUHFG-UHFFFAOYSA-N
MW1175.41 g/mol
LogP20.82
Rot. Bonds13

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

2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine (PubChem CID 138750117) has the molecular formula C84H54N8 and a molecular weight of 1175.41 g/mol. Its IUPAC name is 2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
PubChem CID138750117
Molecular FormulaC84H54N8
Molecular Weight1175.41 g/mol
Exact Mass1174.45
IUPAC Name2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8c(-c9ccc(-c%10cccnc%10)cc9)cccc78)cc6)n5)cc4)cc3)nc(-c3ccc(-c4cccc5c(-c6ccc(-c7ccncc7)cc6)cccc45)cc3)n2)cc1
InChIInChI=1S/C84H54N8/c1-3-12-64(13-4-1)79-87-81(91-83(89-79)68-45-37-62(38-46-68)73-19-9-21-75-71(17-7-23-77(73)75)60-33-25-57(26-34-60)59-49-52-85-53-50-59)66-41-29-55(30-42-66)56-31-43-67(44-32-56)82-88-80(65-14-5-2-6-15-65)90-84(92-82)69-47-39-63(40-48-69)74-20-10-22-76-72(18-8-24-78(74)76)61-35-27-58(28-36-61)70-16-11-51-86-54-70/h1-54H
InChIKeyHUILIGNAMZUHFG-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-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(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-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine (CID 138750117) is 2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc(-c7cccc8c(-c9ccc(-c%10cccnc%10)cc9)cccc78)cc6)n5)cc4)cc3)nc(-c3ccc(-c4cccc5c(-c6ccc(-c7ccncc7)cc6)cccc45)cc3)n2)cc1.
What is the InChIKey of 2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
The InChIKey is HUILIGNAMZUHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H54N8/c1-3-12-64(13-4-1)79-87-81(91-83(89-79)68-45-37-62(38-46-68)73-19-9-21-75-71(17-7-23-77(73)75)60-33-25-57(26-34-60)59-49-52-85-53-50-59)66-41-29-55(30-42-66)56-31-43-67(44-32-56)82-88-80(65-14-5-2-6-15-65)90-84(92-82)69-47-39-63(40-48-69)74-20-10-22-76-72(18-8-24-78(74)76)61-35-27-58(28-36-61)70-16-11-51-86-54-70/h1-54H.
What are the key properties of 2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine?
2-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(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-phenyl-4-[4-[4-[4-phenyl-6-[4-[5-(4-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-6-[4-[5-(4-pyridin-4-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 138750117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).