2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine

C51H33N3 — CID 164745860

IUPAC2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)ccc4c3)c2)cc1
InChIInChI=1S/C51H33N3/c1-3-11-34(12-4-1)42-27-28-47(37-15-5-2-6-16-37)48(33-42)43-23-21-41-32-46(26-22-40(41)29-43)51-53-49(44-24-19-35-13-7-9-17-38(35)30-44)52-50(54-51)45-25-20-36-14-8-10-18-39(36)31-45/h1-33H
InChIKeyBEJLAKDHTRGOHX-UHFFFAOYSA-N
MW687.85 g/mol
LogP13.33
Rot. Bonds6

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

2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 164745860) has the molecular formula C51H33N3 and a molecular weight of 687.85 g/mol. Its IUPAC name is 2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID164745860
Molecular FormulaC51H33N3
Molecular Weight687.85 g/mol
Exact Mass687.27
IUPAC Name2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)ccc4c3)c2)cc1
InChIInChI=1S/C51H33N3/c1-3-11-34(12-4-1)42-27-28-47(37-15-5-2-6-16-37)48(33-42)43-23-21-41-32-46(26-22-40(41)29-43)51-53-49(44-24-19-35-13-7-9-17-38(35)30-44)52-50(54-51)45-25-20-36-14-8-10-18-39(36)31-45/h1-33H
InChIKeyBEJLAKDHTRGOHX-UHFFFAOYSA-N
XLogP13.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.85
LogP ≤ 513.33
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(4-phenylphenyl)-1,3,5-triazine
CID 169297295
2-naphthalen-2-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297212
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-naphthalen-2-yl-4-(7-naphthalen-2-ylnaphthalen-2-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 176588187
2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 170180018
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-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-[4-[2-(2-naphthalen-2-ylphenyl)phenyl]-3-phenylphenyl]-4,6-dipyridin-4-yl-1,3,5-triazine
CID 146187775
2-naphthalen-1-yl-4-[3-(2-naphthalen-2-yl-4-phenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 169297170
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 164745860) is 2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4cc(-c5nc(-c6ccc7ccccc7c6)nc(-c6ccc7ccccc7c6)n5)ccc4c3)c2)cc1.
What is the InChIKey of 2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is BEJLAKDHTRGOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3/c1-3-11-34(12-4-1)42-27-28-47(37-15-5-2-6-16-37)48(33-42)43-23-21-41-32-46(26-22-40(41)29-43)51-53-49(44-24-19-35-13-7-9-17-38(35)30-44)52-50(54-51)45-25-20-36-14-8-10-18-39(36)31-45/h1-33H.
What are the key properties of 2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 687.85 g/mol, XLogP of 13.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,5-diphenylphenyl)naphthalen-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 164745860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).