2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

C55H37N3 — CID 169297295

IUPAC2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C55H37N3/c1-4-13-38(14-5-1)41-23-28-44(29-24-41)53-56-54(45-30-25-42(26-31-45)39-15-6-2-7-16-39)58-55(57-53)50-22-12-21-49(36-50)51-34-33-48(37-52(51)43-18-8-3-9-19-43)47-32-27-40-17-10-11-20-46(40)35-47/h1-37H
InChIKeyDEASMZDFRJJDJG-UHFFFAOYSA-N
MW739.92 g/mol
LogP14.36
Rot. Bonds8

About 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine

2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 169297295) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID169297295
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5-c5ccccc5)c4)n3)cc2)cc1
InChIInChI=1S/C55H37N3/c1-4-13-38(14-5-1)41-23-28-44(29-24-41)53-56-54(45-30-25-42(26-31-45)39-15-6-2-7-16-39)58-55(57-53)50-22-12-21-49(36-50)51-34-33-48(37-52(51)43-18-8-3-9-19-43)47-32-27-40-17-10-11-20-46(40)35-47/h1-37H
InChIKeyDEASMZDFRJJDJG-UHFFFAOYSA-N
XLogP14.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297212
2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 164745860
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169297350
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 169297430
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052347
2-(3,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052309
2-naphthalen-1-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 169297170
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 169297295) is 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5-c5ccccc5)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is DEASMZDFRJJDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-4-13-38(14-5-1)41-23-28-44(29-24-41)53-56-54(45-30-25-42(26-31-45)39-15-6-2-7-16-39)58-55(57-53)50-22-12-21-49(36-50)51-34-33-48(37-52(51)43-18-8-3-9-19-43)47-32-27-40-17-10-11-20-46(40)35-47/h1-37H.
What are the key properties of 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 739.92 g/mol, XLogP of 14.36, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169297295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).