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

C55H37N3 — CID 169297350

IUPAC2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5-c5ccccc5)c4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C55H37N3/c1-4-16-38(17-5-1)43-24-14-26-47(35-43)53-56-54(58-55(57-53)51-29-13-12-28-49(51)40-19-6-2-7-20-40)48-27-15-25-46(36-48)50-33-32-45(37-52(50)41-21-8-3-9-22-41)44-31-30-39-18-10-11-23-42(39)34-44/h1-37H
InChIKeyXOJCEYBGTVUSFR-UHFFFAOYSA-N
MW739.92 g/mol
LogP14.36
Rot. Bonds8

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

2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 169297350) 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-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID169297350
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5-c5ccccc5)c4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C55H37N3/c1-4-16-38(17-5-1)43-24-14-26-47(35-43)53-56-54(58-55(57-53)51-29-13-12-28-49(51)40-19-6-2-7-20-40)48-27-15-25-46(36-48)50-33-32-45(37-52(50)41-21-8-3-9-22-41)44-31-30-39-18-10-11-23-42(39)34-44/h1-37H
InChIKeyXOJCEYBGTVUSFR-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-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 169297430
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 169297295
2-naphthalen-2-yl-4-[2-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[2-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164991362
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-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 165078366
2-(2,5-diphenylphenyl)-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 171052399
2-naphthalen-1-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 169297170
2-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-ylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174267901
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
2-(2,4-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171052413
2-[3-[3-(2,4-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 171440358

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 169297350) is 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccc(-c6ccc7ccccc7c6)cc5-c5ccccc5)c4)nc(-c4ccccc4-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is XOJCEYBGTVUSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-4-16-38(17-5-1)43-24-14-26-47(35-43)53-56-54(58-55(57-53)51-29-13-12-28-49(51)40-19-6-2-7-20-40)48-27-15-25-46(36-48)50-33-32-45(37-52(50)41-21-8-3-9-22-41)44-31-30-39-18-10-11-23-42(39)34-44/h1-37H.
What are the key properties of 2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-[3-(4-naphthalen-2-yl-2-phenylphenyl)phenyl]-4-(2-phenylphenyl)-6-(3-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-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 169297350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).