2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine

C52H33N3O — CID 146367757

IUPAC2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc3c(cc2-c2cccc(-c4ncnc(-c5cccc6c5oc5ccccc56)n4)c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C52H33N3O/c1-4-16-34(17-5-1)43-31-45-39-24-10-12-28-46(39)52(37-20-6-2-7-21-37,38-22-8-3-9-23-38)47(45)32-44(43)35-18-14-19-36(30-35)50-53-33-54-51(55-50)42-27-15-26-41-40-25-11-13-29-48(40)56-49(41)42/h1-33H
InChIKeyPHIWRNCFDNQSPD-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.80
Rot. Bonds6

About 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine

2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine (PubChem CID 146367757) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
PubChem CID146367757
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cc3c(cc2-c2cccc(-c4ncnc(-c5cccc6c5oc5ccccc56)n4)c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C52H33N3O/c1-4-16-34(17-5-1)43-31-45-39-24-10-12-28-46(39)52(37-20-6-2-7-21-37,38-22-8-3-9-23-38)47(45)32-44(43)35-18-14-19-36(30-35)50-53-33-54-51(55-50)42-27-15-26-41-40-25-11-13-29-48(40)56-49(41)42/h1-33H
InChIKeyPHIWRNCFDNQSPD-UHFFFAOYSA-N
XLogP12.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)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-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367964
2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
bis(4-phenyl-2-(2,9,9-triphenylfluoren-3-yl)-[1]benzofuro[3,2-d]pyrimidine);bis(4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine)
CID 161102117
4-(2-dibenzofuran-2-yl-9,9-diphenylfluoren-3-yl)-2,6-diphenylpyrimidine
CID 146367846
4-dibenzofuran-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 146669920
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
2-(3-dibenzofuran-3-yl-9,9-diphenylfluoren-2-yl)-4,6-diphenylpyrimidine
CID 146367821
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601945
2,4-diphenyl-6-[6-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 162487314

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine (CID 146367757) is 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cc3c(cc2-c2cccc(-c4ncnc(-c5cccc6c5oc5ccccc56)n4)c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is PHIWRNCFDNQSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-4-16-34(17-5-1)43-31-45-39-24-10-12-28-46(39)52(37-20-6-2-7-21-37,38-22-8-3-9-23-38)47(45)32-44(43)35-18-14-19-36(30-35)50-53-33-54-51(55-50)42-27-15-26-41-40-25-11-13-29-48(40)56-49(41)42/h1-33H.
What are the key properties of 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 715.86 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146367757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).