2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine

C47H32N4O — CID 154950048

IUPAC2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4cccnc4)cc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c3)ccc21
InChIInChI=1S/C47H32N4O/c1-47(2)40-16-8-6-14-36(40)38-26-30(18-20-41(38)47)33-23-34(32-13-10-22-48-28-32)25-35(24-33)46-50-44(29-11-4-3-5-12-29)49-45(51-46)31-19-21-43-39(27-31)37-15-7-9-17-42(37)52-43/h3-28H,1-2H3
InChIKeyZZWQXTFYYLLJRB-UHFFFAOYSA-N
MW668.80 g/mol
LogP11.81
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine (PubChem CID 154950048) has the molecular formula C47H32N4O and a molecular weight of 668.80 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine
PubChem CID154950048
Molecular FormulaC47H32N4O
Molecular Weight668.80 g/mol
Exact Mass668.26
IUPAC Name2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4cccnc4)cc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c3)ccc21
InChIInChI=1S/C47H32N4O/c1-47(2)40-16-8-6-14-36(40)38-26-30(18-20-41(38)47)33-23-34(32-13-10-22-48-28-32)25-35(24-33)46-50-44(29-11-4-3-5-12-29)49-45(51-46)31-19-21-43-39(27-31)37-15-7-9-17-42(37)52-43/h3-28H,1-2H3
InChIKeyZZWQXTFYYLLJRB-UHFFFAOYSA-N
XLogP11.81
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 154950154
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-(3-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazine
CID 146632523
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-[4-(9,9-dimethyl-4-pyridin-3-ylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584348
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584389
2-(9,9-dimethylfluoren-3-yl)-4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaen-10-yl)-6-phenyl-1,3,5-triazine
CID 167689727
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-(3-bromo-5-pyridin-3-ylphenyl)-4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 150429828
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine (CID 154950048) is 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc(-c3cc(-c4cccnc4)cc(-c4nc(-c5ccccc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c3)ccc21.
What is the InChIKey of 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is ZZWQXTFYYLLJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O/c1-47(2)40-16-8-6-14-36(40)38-26-30(18-20-41(38)47)33-23-34(32-13-10-22-48-28-32)25-35(24-33)46-50-44(29-11-4-3-5-12-29)49-45(51-46)31-19-21-43-39(27-31)37-15-7-9-17-42(37)52-43/h3-28H,1-2H3.
What are the key properties of 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 668.80 g/mol, XLogP of 11.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-[3-(9,9-dimethylfluoren-3-yl)-5-pyridin-3-ylphenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 154950048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).