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

C44H28N4O — CID 153310394

IUPAC6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc(-c4cccc5ccccc45)c4nc(-c5ccccc5)oc4c3)n2)cc1
InChIInChI=1S/C44H28N4O/c1-4-16-30(17-5-1)41-46-42(31-18-6-2-7-19-31)48-43(47-41)37-25-13-12-24-35(37)33-27-38(36-26-14-22-29-15-10-11-23-34(29)36)40-39(28-33)49-44(45-40)32-20-8-3-9-21-32/h1-28H
InChIKeyKAMDORNFWKFHPH-UHFFFAOYSA-N
MW628.74 g/mol
LogP11.17
Rot. Bonds6

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

6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole (PubChem CID 153310394) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
PubChem CID153310394
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc(-c4cccc5ccccc45)c4nc(-c5ccccc5)oc4c3)n2)cc1
InChIInChI=1S/C44H28N4O/c1-4-16-30(17-5-1)41-46-42(31-18-6-2-7-19-31)48-43(47-41)37-25-13-12-24-35(37)33-27-38(36-26-14-22-29-15-10-11-23-34(29)36)40-39(28-33)49-44(45-40)32-20-8-3-9-21-32/h1-28H
InChIKeyKAMDORNFWKFHPH-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

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
CID 153310365
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 149079954
4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332961
4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-1,3-benzoxazole
CID 163850421
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
5-phenyl-18-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-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 177086271
2-(9-naphthalen-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166742190
8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[2,1-e][1,3]benzoxazole
CID 170122475
2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 168731861
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818458
18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenyl-6-oxa-11-thia-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 177085872

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole?
The IUPAC name of 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole (CID 153310394) is 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cc(-c4cccc5ccccc45)c4nc(-c5ccccc5)oc4c3)n2)cc1.
What is the InChIKey of 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole?
The InChIKey is KAMDORNFWKFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4O/c1-4-16-30(17-5-1)41-46-42(31-18-6-2-7-19-31)48-43(47-41)37-25-13-12-24-35(37)33-27-38(36-26-14-22-29-15-10-11-23-34(29)36)40-39(28-33)49-44(45-40)32-20-8-3-9-21-32/h1-28H.
What are the key properties of 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole?
6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-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 6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 153310394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).