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

C38H24N4O — CID 153310365

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)cc4oc(-c5ccccc5)nc34)n2)cc1
InChIInChI=1S/C38H24N4O/c1-4-14-26(15-5-1)35-40-36(27-16-6-2-7-17-27)42-37(41-35)32-23-29(31-22-12-20-25-13-10-11-21-30(25)31)24-33-34(32)39-38(43-33)28-18-8-3-9-19-28/h1-24H
InChIKeyHWMDQCFSHWQTGA-UHFFFAOYSA-N
MW552.64 g/mol
LogP9.50
Rot. Bonds5

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

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole (PubChem CID 153310365) has the molecular formula C38H24N4O and a molecular weight of 552.64 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
PubChem CID153310365
Molecular FormulaC38H24N4O
Molecular Weight552.64 g/mol
Exact Mass552.20
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)cc4oc(-c5ccccc5)nc34)n2)cc1
InChIInChI=1S/C38H24N4O/c1-4-14-26(15-5-1)35-40-36(27-16-6-2-7-17-27)42-37(41-35)32-23-29(31-22-12-20-25-13-10-11-21-30(25)31)24-33-34(32)39-38(43-33)28-18-8-3-9-19-28/h1-24H
InChIKeyHWMDQCFSHWQTGA-UHFFFAOYSA-N
XLogP9.50
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 59.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-naphthalen-1-yl-2-phenyl-1,3-benzoxazole
CID 153310394
6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzoxazole
CID 149079954
4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-naphthalen-1-yl-1,3-benzoxazole
CID 163850421
4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332961
2-[4-(3-naphthalen-1-yldibenzofuran-1-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177112661
2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164951936
8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[2,1-e][1,3]benzoxazole
CID 170122475
6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole
CID 163520765
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
2-naphthalen-1-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 171597325
5-phenyl-16-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-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 177086152
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 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole (CID 153310365) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5ccccc45)cc4oc(-c5ccccc5)nc34)n2)cc1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole?
The InChIKey is HWMDQCFSHWQTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4O/c1-4-14-26(15-5-1)35-40-36(27-16-6-2-7-17-27)42-37(41-35)32-23-29(31-22-12-20-25-13-10-11-21-30(25)31)24-33-34(32)39-38(43-33)28-18-8-3-9-19-28/h1-24H.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole has a molecular weight of 552.64 g/mol, XLogP of 9.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-naphthalen-1-yl-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 153310365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).