5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline

C51H34N4O — CID 154950063

IUPAC5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc(-c4cccc5ncccc45)c3)ccc21
InChIInChI=1S/C51H34N4O/c1-51(2)42-20-8-6-15-37(42)41-30-32(24-25-43(41)51)33-27-34(36-17-10-21-44-38(36)19-12-26-52-44)29-35(28-33)49-53-48(31-13-4-3-5-14-31)54-50(55-49)40-18-11-23-46-47(40)39-16-7-9-22-45(39)56-46/h3-30H,1-2H3
InChIKeyQTOGNFPKNMDHIS-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.96
Rot. Bonds5

About 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline

5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline (PubChem CID 154950063) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline.

Molecular Properties

Compound Name5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline
PubChem CID154950063
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc(-c4cccc5ncccc45)c3)ccc21
InChIInChI=1S/C51H34N4O/c1-51(2)42-20-8-6-15-37(42)41-30-32(24-25-43(41)51)33-27-34(36-17-10-21-44-38(36)19-12-26-52-44)29-35(28-33)49-53-48(31-13-4-3-5-14-31)54-50(55-49)40-18-11-23-46-47(40)39-16-7-9-22-45(39)56-46/h3-30H,1-2H3
InChIKeyQTOGNFPKNMDHIS-UHFFFAOYSA-N
XLogP12.96
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[8-(9,9-dimethylfluoren-3-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369020
2-dibenzofuran-1-yl-4-[4-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 177079301
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-1-yl-4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134218099
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-dibenzofuran-3-yl-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681220
2,4-di(dibenzofuran-1-yl)-6-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368778
4-[4-[3,5-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline
CID 122427611
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-(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-phenyl-6-(9,9,10,10-tetramethyl-6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 163459685

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline?
The IUPAC name of 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline (CID 154950063) is 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline.
What is the SMILES notation for 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline?
The canonical SMILES for 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline is CC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5cccc6oc7ccccc7c56)n4)cc(-c4cccc5ncccc45)c3)ccc21.
What is the InChIKey of 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline?
The InChIKey is QTOGNFPKNMDHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-51(2)42-20-8-6-15-37(42)41-30-32(24-25-43(41)51)33-27-34(36-17-10-21-44-38(36)19-12-26-52-44)29-35(28-33)49-53-48(31-13-4-3-5-14-31)54-50(55-49)40-18-11-23-46-47(40)39-16-7-9-22-45(39)56-46/h3-30H,1-2H3.
What are the key properties of 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline?
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline has a molecular weight of 718.86 g/mol, XLogP of 12.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]quinoline is sourced from PubChem (CID 154950063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).