2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine

C51H31N3O2 — CID 167349302

IUPAC2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c3-c3ccccc3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-15-32(16-4-1)34-19-11-20-35(31-34)36-23-12-26-41(46(36)33-17-5-2-6-18-33)49-52-50(42-27-13-24-39-37-21-7-9-29-44(37)55-47(39)42)54-51(53-49)43-28-14-25-40-38-22-8-10-30-45(38)56-48(40)43/h1-31H
InChIKeyVTCQASIUUBNZAK-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine

2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167349302) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID167349302
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c3-c3ccccc3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-15-32(16-4-1)34-19-11-20-35(31-34)36-23-12-26-41(46(36)33-17-5-2-6-18-33)49-52-50(42-27-13-24-39-37-21-7-9-29-44(37)55-47(39)42)54-51(53-49)43-28-14-25-40-38-22-8-10-30-45(38)56-48(40)43/h1-31H
InChIKeyVTCQASIUUBNZAK-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine 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

2,4-di(dibenzofuran-4-yl)-6-(2,3,4-triphenylphenyl)-1,3,5-triazine
CID 167349521
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157
2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348928
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164723679
2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078968
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-dibenzofuran-4-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079173

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 167349302) is 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5cccc6c5oc5ccccc56)nc(-c5cccc6c5oc5ccccc56)n4)c3-c3ccccc3)c2)cc1.
What is the InChIKey of 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is VTCQASIUUBNZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-15-32(16-4-1)34-19-11-20-35(31-34)36-23-12-26-41(46(36)33-17-5-2-6-18-33)49-52-50(42-27-13-24-39-37-21-7-9-29-44(37)55-47(39)42)54-51(53-49)43-28-14-25-40-38-22-8-10-30-45(38)56-48(40)43/h1-31H.
What are the key properties of 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167349302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).