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

C46H26N4O2S — CID 155357091

IUPAC2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3sc3ccc(-c5cccc(-c6nc7ccccc7o6)c5)cc34)n2)cc1
InChIInChI=1S/C46H26N4O2S/c1-2-11-27(12-3-1)43-48-44(34-18-9-16-32-31-15-4-6-21-38(31)51-41(32)34)50-45(49-43)35-19-10-17-33-36-26-29(23-24-40(36)53-42(33)35)28-13-8-14-30(25-28)46-47-37-20-5-7-22-39(37)52-46/h1-26H
InChIKeyNMEUGYTZBDBTRP-UHFFFAOYSA-N
MW698.81 g/mol
LogP12.62
Rot. Bonds5

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

2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole (PubChem CID 155357091) has the molecular formula C46H26N4O2S and a molecular weight of 698.81 g/mol. Its IUPAC name is 2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
PubChem CID155357091
Molecular FormulaC46H26N4O2S
Molecular Weight698.81 g/mol
Exact Mass698.18
IUPAC Name2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3sc3ccc(-c5cccc(-c6nc7ccccc7o6)c5)cc34)n2)cc1
InChIInChI=1S/C46H26N4O2S/c1-2-11-27(12-3-1)43-48-44(34-18-9-16-32-31-15-4-6-21-38(31)51-41(32)34)50-45(49-43)35-19-10-17-33-36-26-29(23-24-40(36)53-42(33)35)28-13-8-14-30(25-28)46-47-37-20-5-7-22-39(37)52-46/h1-26H
InChIKeyNMEUGYTZBDBTRP-UHFFFAOYSA-N
XLogP12.62
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.81
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[6-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 155357093
2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-[4-[6-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 155356881
2-[3-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 153029194
2-[3-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole
CID 147143568
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole;2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole;2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole;2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-1,3-benzoxazole
CID 159598299
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-[9-[4-(3-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3-benzoxazole
CID 153175307
2-(6-phenyldibenzofuran-3-yl)-4-(6-phenyldibenzothiophen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 138519471

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole?
The IUPAC name of 2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole (CID 155357091) is 2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3cccc4c3sc3ccc(-c5cccc(-c6nc7ccccc7o6)c5)cc34)n2)cc1.
What is the InChIKey of 2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole?
The InChIKey is NMEUGYTZBDBTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2S/c1-2-11-27(12-3-1)43-48-44(34-18-9-16-32-31-15-4-6-21-38(31)51-41(32)34)50-45(49-43)35-19-10-17-33-36-26-29(23-24-40(36)53-42(33)35)28-13-8-14-30(25-28)46-47-37-20-5-7-22-39(37)52-46/h1-26H.
What are the key properties of 2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole?
2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole has a molecular weight of 698.81 g/mol, XLogP of 12.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 155357091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).