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

C52H33N3O — CID 134199117

IUPAC2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6c45)n3)cccc21
InChIInChI=1S/C52H33N3O/c1-52(2)42-22-9-8-17-38(42)47-39(20-11-23-43(47)52)50-53-49(30-13-4-3-5-14-30)54-51(55-50)40-21-12-24-45-48(40)41-29-31(25-28-44(41)56-45)32-26-27-37-34-16-7-6-15-33(34)36-19-10-18-35(32)46(36)37/h3-29H,1-2H3
InChIKeyFWLCWINTNMYADH-UHFFFAOYSA-N
MW715.86 g/mol
LogP13.55
Rot. Bonds4

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

2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 134199117) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID134199117
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6c45)n3)cccc21
InChIInChI=1S/C52H33N3O/c1-52(2)42-22-9-8-17-38(42)47-39(20-11-23-43(47)52)50-53-49(30-13-4-3-5-14-30)54-51(55-50)40-21-12-24-45-48(40)41-29-31(25-28-44(41)56-45)32-26-27-37-34-16-7-6-15-33(34)36-19-10-18-35(32)46(36)37/h3-29H,1-2H3
InChIKeyFWLCWINTNMYADH-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-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

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-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-[8-[4-[4-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369225
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-(6-dibenzofuran-1-yl-9,9-dimethylfluoren-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 118507911
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-2-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 153368936
2-(9,9-dimethylfluoren-3-yl)-4-(8-fluoranthen-7-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134199149
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258
2-dibenzothiophen-2-yl-4-[8-[3-(9,9-dimethylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002845
2-dibenzofuran-4-yl-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198681

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 134199117) is 2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2c(-c3nc(-c4ccccc4)nc(-c4cccc5oc6ccc(-c7ccc8c9c(cccc79)-c7ccccc7-8)cc6c45)n3)cccc21.
What is the InChIKey of 2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is FWLCWINTNMYADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-52(2)42-22-9-8-17-38(42)47-39(20-11-23-43(47)52)50-53-49(30-13-4-3-5-14-30)54-51(55-50)40-21-12-24-45-48(40)41-29-31(25-28-44(41)56-45)32-26-27-37-34-16-7-6-15-33(34)36-19-10-18-35(32)46(36)37/h3-29H,1-2H3.
What are the key properties of 2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-(9,9-dimethylfluoren-4-yl)-4-(8-fluoranthen-3-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-4-yl)-4-(8-fluoranthen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134199117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).