2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine

C52H33N3O2S — CID 156791075

IUPAC2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2-c2c(-c3ccccc3)sc(-c3ccccc3)c21
InChIInChI=1S/C52H33N3O2S/c1-52(2)40-28-33(22-25-38(40)45-46(52)48(31-15-7-4-8-16-31)58-47(45)30-13-5-3-6-14-30)50-53-49(32-23-26-43-39(27-32)36-18-10-12-20-42(36)56-43)54-51(55-50)34-21-24-37-35-17-9-11-19-41(35)57-44(37)29-34/h3-29H,1-2H3
InChIKeyGRVCIGCGQZOXEF-UHFFFAOYSA-N
MW763.92 g/mol
LogP14.37
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine (PubChem CID 156791075) has the molecular formula C52H33N3O2S and a molecular weight of 763.92 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine
PubChem CID156791075
Molecular FormulaC52H33N3O2S
Molecular Weight763.92 g/mol
Exact Mass763.23
IUPAC Name2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine
SMILESCC1(C)c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2-c2c(-c3ccccc3)sc(-c3ccccc3)c21
InChIInChI=1S/C52H33N3O2S/c1-52(2)40-28-33(22-25-38(40)45-46(52)48(31-15-7-4-8-16-31)58-47(45)30-13-5-3-6-14-30)50-53-49(32-23-26-43-39(27-32)36-18-10-12-20-42(36)56-43)54-51(55-50)34-21-24-37-35-17-9-11-19-41(35)57-44(37)29-34/h3-29H,1-2H3
InChIKeyGRVCIGCGQZOXEF-UHFFFAOYSA-N
XLogP14.37
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.92
LogP ≤ 514.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-2-yl-4-(9,9-dimethyl-5-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazine
CID 163722248
2-dibenzofuran-2-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602383
2-dibenzofuran-2-yl-4-(10,10-dimethylindeno[1,2-b][1]benzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174245071
2-dibenzofuran-3-yl-4-[3-(7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 154602580
2-[3-[4-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154602744
2-[3-(4,4-dimethyl-1-phenylindeno[1,2-c]thiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 156530253
2-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134218012
2-dibenzofuran-3-yl-4,6-diphenylpyrimidine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-(2-dibenzofuran-3-yl-6-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158848714
2-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-4,6-diphenylpyrimidine
CID 154602693
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369481
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-dibenzofuran-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine (CID 156791075) is 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine is CC1(C)c2cc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc2-c2c(-c3ccccc3)sc(-c3ccccc3)c21.
What is the InChIKey of 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine?
The InChIKey is GRVCIGCGQZOXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2S/c1-52(2)40-28-33(22-25-38(40)45-46(52)48(31-15-7-4-8-16-31)58-47(45)30-13-5-3-6-14-30)50-53-49(32-23-26-43-39(27-32)36-18-10-12-20-42(36)56-43)54-51(55-50)34-21-24-37-35-17-9-11-19-41(35)57-44(37)29-34/h3-29H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine has a molecular weight of 763.92 g/mol, XLogP of 14.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-dibenzofuran-3-yl-6-(4,4-dimethyl-1,3-diphenylindeno[1,2-c]thiophen-6-yl)-1,3,5-triazine is sourced from PubChem (CID 156791075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).