2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine

C54H35N3O3 — CID 138575396

IUPAC2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)O1
InChIInChI=1S/C54H35N3O3/c1-54(2)42-23-10-8-19-41(42)47-43(54)30-31-46-50(47)60-49-38(22-13-25-45(49)58-46)36-16-6-7-18-40(36)53-56-51(33-14-4-3-5-15-33)55-52(57-53)34-28-26-32(27-29-34)35-20-12-21-39-37-17-9-11-24-44(37)59-48(35)39/h3-31H,1-2H3
InChIKeyHMHUYQADABJERB-UHFFFAOYSA-N
MW773.89 g/mol
LogP14.31
Rot. Bonds5

About 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine

2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 138575396) has the molecular formula C54H35N3O3 and a molecular weight of 773.89 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID138575396
Molecular FormulaC54H35N3O3
Molecular Weight773.89 g/mol
Exact Mass773.27
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)O1
InChIInChI=1S/C54H35N3O3/c1-54(2)42-23-10-8-19-41(42)47-43(54)30-31-46-50(47)60-49-38(22-13-25-45(49)58-46)36-16-6-7-18-40(36)53-56-51(33-14-4-3-5-15-33)55-52(57-53)34-28-26-32(27-29-34)35-20-12-21-39-37-17-9-11-24-44(37)59-48(35)39/h3-31H,1-2H3
InChIKeyHMHUYQADABJERB-UHFFFAOYSA-N
XLogP14.31
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.89
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenylpyrimidine
CID 138575270
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 138576210
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 138575300
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138574909
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 138575338
9-[4-[4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138575389
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
2-(4-dibenzofuran-4-ylphenyl)-4-[3-(8,8-diphenylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575029
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138576199
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575450
2-dibenzofuran-3-yl-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575353
2,4-di(dibenzofuran-4-yl)-6-[2-(9,9-dimethylfluoren-4-yl)phenyl]-1,3,5-triazine
CID 167349594

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 138575396) is 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c1ccc1c2Oc2c(cccc2-c2ccccc2-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)n2)O1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is HMHUYQADABJERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O3/c1-54(2)42-23-10-8-19-41(42)47-43(54)30-31-46-50(47)60-49-38(22-13-25-45(49)58-46)36-16-6-7-18-40(36)53-56-51(33-14-4-3-5-15-33)55-52(57-53)34-28-26-32(27-29-34)35-20-12-21-39-37-17-9-11-24-44(37)59-48(35)39/h3-31H,1-2H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 773.89 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 138575396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).