2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene

C54H41N3O — CID 176956293

IUPAC2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2cccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)c2)ccc1C
InChIInChI=1S/C47H33N3O.C7H8/c1-30-13-9-10-20-38(30)40-28-36(24-23-31(40)2)34-18-11-19-35(27-34)37-25-26-42-41(29-37)44-39(21-12-22-43(44)51-42)47-49-45(32-14-5-3-6-15-32)48-46(50-47)33-16-7-4-8-17-33;1-7-5-3-2-4-6-7/h3-29H,1-2H3;2-6H,1H3
InChIKeyWJGXVXXHXWCGKR-UHFFFAOYSA-N
MW747.94 g/mol
LogP14.38
Rot. Bonds6

About 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene

2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene (PubChem CID 176956293) has the molecular formula C54H41N3O and a molecular weight of 747.94 g/mol. Its IUPAC name is 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene.

Molecular Properties

Compound Name2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene
PubChem CID176956293
Molecular FormulaC54H41N3O
Molecular Weight747.94 g/mol
Exact Mass747.32
IUPAC Name2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene
SMILESCc1ccccc1.Cc1ccccc1-c1cc(-c2cccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)c2)ccc1C
InChIInChI=1S/C47H33N3O.C7H8/c1-30-13-9-10-20-38(30)40-28-36(24-23-31(40)2)34-18-11-19-35(27-34)37-25-26-42-41(29-37)44-39(21-12-22-43(44)51-42)47-49-45(32-14-5-3-6-15-32)48-46(50-47)33-16-7-4-8-17-33;1-7-5-3-2-4-6-7/h3-29H,1-2H3;2-6H,1H3
InChIKeyWJGXVXXHXWCGKR-UHFFFAOYSA-N
XLogP14.38
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.94
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(4-methylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 134199083
2-phenyl-4-(4-phenylphenyl)-6-[8-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946454
2-(8-phenyldibenzofuran-1-yl)-4-(4-phenylphenyl)-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163972262
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459
2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946169
2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 161271713
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081
2,4-diphenyl-6-[9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166565518
2-(3-methylphenyl)-4-[4-[8-[4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 138600966
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134198515
2-[8-[4-(2,4-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 160543565

Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene?
The IUPAC name of 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene (CID 176956293) is 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene.
What is the SMILES notation for 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene?
The canonical SMILES for 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene is Cc1ccccc1.Cc1ccccc1-c1cc(-c2cccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c4c3)c2)ccc1C.
What is the InChIKey of 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene?
The InChIKey is WJGXVXXHXWCGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3O.C7H8/c1-30-13-9-10-20-38(30)40-28-36(24-23-31(40)2)34-18-11-19-35(27-34)37-25-26-42-41(29-37)44-39(21-12-22-43(44)51-42)47-49-45(32-14-5-3-6-15-32)48-46(50-47)33-16-7-4-8-17-33;1-7-5-3-2-4-6-7/h3-29H,1-2H3;2-6H,1H3.
What are the key properties of 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene?
2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene has a molecular weight of 747.94 g/mol, XLogP of 14.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[3-[4-methyl-3-(2-methylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;toluene is sourced from PubChem (CID 176956293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).