2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine

C54H35N3O3 — CID 165382217

IUPAC2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc4oc5cc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7ccc8c(c7)oc7ccccc78)n6)ccc5c34)ccc21
InChIInChI=1S/C54H35N3O3/c1-54(2)42-18-7-9-20-45(42)59-49-29-34(24-27-43(49)54)38-17-11-21-46-50(38)41-26-23-37(31-48(41)60-46)53-56-51(35-15-10-14-33(28-35)32-12-4-3-5-13-32)55-52(57-53)36-22-25-40-39-16-6-8-19-44(39)58-47(40)30-36/h3-31H,1-2H3
InChIKeyHKGDGDSOZRGQSZ-UHFFFAOYSA-N
MW773.89 g/mol
LogP14.44
Rot. Bonds5

About 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 165382217) has the molecular formula C54H35N3O3 and a molecular weight of 773.89 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID165382217
Molecular FormulaC54H35N3O3
Molecular Weight773.89 g/mol
Exact Mass773.27
IUPAC Name2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2Oc2cc(-c3cccc4oc5cc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7ccc8c(c7)oc7ccccc78)n6)ccc5c34)ccc21
InChIInChI=1S/C54H35N3O3/c1-54(2)42-18-7-9-20-45(42)59-49-29-34(24-27-43(49)54)38-17-11-21-46-50(38)41-26-23-37(31-48(41)60-46)53-56-51(35-15-10-14-33(28-35)32-12-4-3-5-13-32)55-52(57-53)36-22-25-40-39-16-6-8-19-44(39)58-47(40)30-36/h3-31H,1-2H3
InChIKeyHKGDGDSOZRGQSZ-UHFFFAOYSA-N
XLogP14.44
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.89
LogP ≤ 514.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-3-yl-4-[6-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 165382201
2-dibenzofuran-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220
2-(9,9-dimethylfluoren-3-yl)-4-[3-(9-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170681343
2-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681282
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[8-[3-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002484
2-(9,9-dimethylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681152
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639
2-(9,9-dimethylfluoren-1-yl)-4-(9,9-dimethylfluoren-3-yl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681235
2-(9,9-dimethylfluoren-3-yl)-4-(4-phenylphenyl)-6-[3-phenyl-5-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681229
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-4-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681339
2-(9,9-dimethylfluoren-4-yl)-4-phenyl-6-[3-[9-(3-phenylphenyl)dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 170681289

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 165382217) is 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine is CC1(C)c2ccccc2Oc2cc(-c3cccc4oc5cc(-c6nc(-c7cccc(-c8ccccc8)c7)nc(-c7ccc8c(c7)oc7ccccc78)n6)ccc5c34)ccc21.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is HKGDGDSOZRGQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O3/c1-54(2)42-18-7-9-20-45(42)59-49-29-34(24-27-43(49)54)38-17-11-21-46-50(38)41-26-23-37(31-48(41)60-46)53-56-51(35-15-10-14-33(28-35)32-12-4-3-5-13-32)55-52(57-53)36-22-25-40-39-16-6-8-19-44(39)58-47(40)30-36/h3-31H,1-2H3.
What are the key properties of 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 773.89 g/mol, XLogP of 14.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[9-(9,9-dimethylxanthen-3-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165382217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).