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

C44H28N4O — CID 174332961

IUPAC4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c(-c5cccc6oc(-c7ccccc7)nc56)ccc5ccccc45)c3)n2)cc1
InChIInChI=1S/C44H28N4O/c1-4-15-30(16-5-1)41-46-42(31-17-6-2-7-18-31)48-43(47-41)34-22-12-21-33(28-34)39-35-23-11-10-14-29(35)26-27-36(39)37-24-13-25-38-40(37)45-44(49-38)32-19-8-3-9-20-32/h1-28H
InChIKeyQXBUEFWFKDPRGY-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.17
Rot. Bonds6

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

4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 174332961) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
PubChem CID174332961
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c(-c5cccc6oc(-c7ccccc7)nc56)ccc5ccccc45)c3)n2)cc1
InChIInChI=1S/C44H28N4O/c1-4-15-30(16-5-1)41-46-42(31-17-6-2-7-18-31)48-43(47-41)34-22-12-21-33(28-34)39-35-23-11-10-14-29(35)26-27-36(39)37-24-13-25-38-40(37)45-44(49-38)32-19-8-3-9-20-32/h1-28H
InChIKeyQXBUEFWFKDPRGY-UHFFFAOYSA-N
XLogP11.17
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 511.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441852
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
CID 153310365
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[e][1,3]benzoxazole
CID 176764343
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441843
4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-1,3-benzoxazole
CID 163850421
8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[2,1-e][1,3]benzoxazole
CID 170122475
6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
CID 153310394
4-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-(4-phenylphenyl)-1,3-benzoxazole
CID 163895604
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
5-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 174334557
16-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086323
16-[4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 177086066

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole (CID 174332961) is 4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4c(-c5cccc6oc(-c7ccccc7)nc56)ccc5ccccc45)c3)n2)cc1.
What is the InChIKey of 4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is QXBUEFWFKDPRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-4-15-30(16-5-1)41-46-42(31-17-6-2-7-18-31)48-43(47-41)34-22-12-21-33(28-34)39-35-23-11-10-14-29(35)26-27-36(39)37-24-13-25-38-40(37)45-44(49-38)32-19-8-3-9-20-32/h1-28H.
What are the key properties of 4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole?
4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 628.74 g/mol, XLogP of 11.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 174332961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).