2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C52H33N3O — CID 134199149

IUPAC2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc8c7-c7cccc9cccc-8c79)cc6c45)n3)ccc21
InChIInChI=1S/C52H33N3O/c1-52(2)42-22-7-6-16-35(42)40-29-33(24-26-43(40)52)50-53-49(31-12-4-3-5-13-31)54-51(55-50)39-21-11-23-45-48(39)41-28-32(25-27-44(41)56-45)34-17-10-19-37-36-18-8-14-30-15-9-20-38(46(30)36)47(34)37/h3-29H,1-2H3
InChIKeyLAXALMKACXGROG-UHFFFAOYSA-N
MW715.86 g/mol
LogP13.55
Rot. Bonds4

About 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 134199149) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID134199149
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc8c7-c7cccc9cccc-8c79)cc6c45)n3)ccc21
InChIInChI=1S/C52H33N3O/c1-52(2)42-22-7-6-16-35(42)40-29-33(24-26-43(40)52)50-53-49(31-12-4-3-5-13-31)54-51(55-50)39-21-11-23-45-48(39)41-28-32(25-27-44(41)56-45)34-17-10-19-37-36-18-8-14-30-15-9-20-38(46(30)36)47(34)37/h3-29H,1-2H3
InChIKeyLAXALMKACXGROG-UHFFFAOYSA-N
XLogP13.55
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine
CID 134198600
2-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225
2-[5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9,9-dimethylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166565485
2-[3-[8-(9,9-dimethylfluoren-4-yl)dibenzofuran-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129292164
2-[8-[7-(9,9-dimethylfluoren-4-yl)phenanthren-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369056
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[2-phenyl-4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-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;2,4-diphenyl-6-[8-[4-phenyl-3-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 159068873
2-dibenzofuran-1-yl-4-[8-[4-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166003049
2-(9,9-dimethylfluoren-3-yl)-4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198469
2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134199117
2,4-di(dibenzofuran-1-yl)-6-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368778
2-dibenzofuran-1-yl-4-[4-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 177079301

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 134199149) is 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7cccc8c7-c7cccc9cccc-8c79)cc6c45)n3)ccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is LAXALMKACXGROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-52(2)42-22-7-6-16-35(42)40-29-33(24-26-43(40)52)50-53-49(31-12-4-3-5-13-31)54-51(55-50)39-21-11-23-45-48(39)41-28-32(25-27-44(41)56-45)34-17-10-19-37-36-18-8-14-30-15-9-20-38(46(30)36)47(34)37/h3-29H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 715.86 g/mol, XLogP of 13.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134199149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).