2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

C60H41N3O — CID 170680854

IUPAC2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5ccc6c(c5)oc5cccc(-c7ccccc7)c56)n4)c3)cc21
InChIInChI=1S/C60H41N3O/c1-60(2)52-26-13-12-24-49(52)50-30-28-42(36-53(50)60)41-22-14-23-43(32-41)57-61-58(44-29-31-51-55(37-44)64-54-27-15-25-48(56(51)54)40-20-10-5-11-21-40)63-59(62-57)47-34-45(38-16-6-3-7-17-38)33-46(35-47)39-18-8-4-9-19-39/h3-37H,1-2H3
InChIKeyRCLYVPSSRLHDOD-UHFFFAOYSA-N
MW820.01 g/mol
LogP15.75
Rot. Bonds7

About 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine

2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (PubChem CID 170680854) has the molecular formula C60H41N3O and a molecular weight of 820.01 g/mol. Its IUPAC name is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
PubChem CID170680854
Molecular FormulaC60H41N3O
Molecular Weight820.01 g/mol
Exact Mass819.32
IUPAC Name2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5ccc6c(c5)oc5cccc(-c7ccccc7)c56)n4)c3)cc21
InChIInChI=1S/C60H41N3O/c1-60(2)52-26-13-12-24-49(52)50-30-28-42(36-53(50)60)41-22-14-23-43(32-41)57-61-58(44-29-31-51-55(37-44)64-54-27-15-25-48(56(51)54)40-20-10-5-11-21-40)63-59(62-57)47-34-45(38-16-6-3-7-17-38)33-46(35-47)39-18-8-4-9-19-39/h3-37H,1-2H3
InChIKeyRCLYVPSSRLHDOD-UHFFFAOYSA-N
XLogP15.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500820.01
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681152
2-(9,9-dimethylfluoren-2-yl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 170681257
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-[3-(9-phenyldibenzofuran-3-yl)phenyl]-1,3,5-triazine
CID 170681346
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170680970
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-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-naphthalen-2-yl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 170681105
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-(4-dibenzofuran-1-ylphenyl)-4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146649093
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681215
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681249
2-(9,9-dimethylfluoren-1-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170681149

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The IUPAC name of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine (CID 170680854) is 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4nc(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)nc(-c5ccc6c(c5)oc5cccc(-c7ccccc7)c56)n4)c3)cc21.
What is the InChIKey of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
The InChIKey is RCLYVPSSRLHDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3O/c1-60(2)52-26-13-12-24-49(52)50-30-28-42(36-53(50)60)41-22-14-23-43(32-41)57-61-58(44-29-31-51-55(37-44)64-54-27-15-25-48(56(51)54)40-20-10-5-11-21-40)63-59(62-57)47-34-45(38-16-6-3-7-17-38)33-46(35-47)39-18-8-4-9-19-39/h3-37H,1-2H3.
What are the key properties of 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine?
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine has a molecular weight of 820.01 g/mol, XLogP of 15.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine is sourced from PubChem (CID 170680854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).