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

C50H32N6 — CID 176632194

IUPAC2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5nc(-c6ccccc6)nc(-c6c(-c7ccccc7)ccc7ccccc67)n5)ccc4c3)n2)cc1
InChIInChI=1S/C50H32N6/c1-5-15-33(16-6-1)43-30-29-34-17-13-14-24-42(34)44(43)50-55-47(37-22-11-4-12-23-37)54-49(56-50)41-28-26-38-31-40(27-25-39(38)32-41)48-52-45(35-18-7-2-8-19-35)51-46(53-48)36-20-9-3-10-21-36/h1-32H
InChIKeyUNLLHUUNQLOXSP-UHFFFAOYSA-N
MW716.85 g/mol
LogP12.03
Rot. Bonds7

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

2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine (PubChem CID 176632194) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
PubChem CID176632194
Molecular FormulaC50H32N6
Molecular Weight716.85 g/mol
Exact Mass716.27
IUPAC Name2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5nc(-c6ccccc6)nc(-c6c(-c7ccccc7)ccc7ccccc67)n5)ccc4c3)n2)cc1
InChIInChI=1S/C50H32N6/c1-5-15-33(16-6-1)43-30-29-34-17-13-14-24-42(34)44(43)50-55-47(37-22-11-4-12-23-37)54-49(56-50)41-28-26-38-31-40(27-25-39(38)32-41)48-52-45(35-18-7-2-8-19-35)51-46(53-48)36-20-9-3-10-21-36/h1-32H
InChIKeyUNLLHUUNQLOXSP-UHFFFAOYSA-N
XLogP12.03
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.85
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-naphthalen-2-yl-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165027661
2-[2-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170277591
2-chloro-4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 171588817
2-(2-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 129099084
2,4-dinaphthalen-2-yl-6-[6-(1-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[6-(8-phenylnaphthalen-2-yl)naphthalen-2-yl]-1,3,5-triazine
CID 165058520
2-[3-[6-(3-methylnaphthalen-1-yl)naphthalen-2-yl]phenyl]-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169040053
2-chloro-4-(2-phenylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 169039928
2-[1-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 129101507
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2,4-diphenyl-6-[4-[2-(4-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 155105161
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632391
2-naphthalen-2-yl-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 121287323

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine (CID 176632194) is 2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4cc(-c5nc(-c6ccccc6)nc(-c6c(-c7ccccc7)ccc7ccccc67)n5)ccc4c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is UNLLHUUNQLOXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-5-15-33(16-6-1)43-30-29-34-17-13-14-24-42(34)44(43)50-55-47(37-22-11-4-12-23-37)54-49(56-50)41-28-26-38-31-40(27-25-39(38)32-41)48-52-45(35-18-7-2-8-19-35)51-46(53-48)36-20-9-3-10-21-36/h1-32H.
What are the key properties of 2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine?
2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 716.85 g/mol, XLogP of 12.03, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[6-[4-phenyl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 176632194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).