2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine

C46H29N3O — CID 171597120

IUPAC2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)C(c5ccccc5)c5ccccc5-6)cc34)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-12-29(13-5-1)43-38-19-11-10-18-35(38)36-23-20-32(27-40(36)43)33-22-25-41-39(26-33)37-24-21-34(28-42(37)50-41)46-48-44(30-14-6-2-7-15-30)47-45(49-46)31-16-8-3-9-17-31/h1-28,43H
InChIKeyRVDZPXRJEDXIQC-UHFFFAOYSA-N
MW639.76 g/mol
LogP11.60
Rot. Bonds5

About 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine

2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 171597120) has the molecular formula C46H29N3O and a molecular weight of 639.76 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID171597120
Molecular FormulaC46H29N3O
Molecular Weight639.76 g/mol
Exact Mass639.23
IUPAC Name2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)C(c5ccccc5)c5ccccc5-6)cc34)n2)cc1
InChIInChI=1S/C46H29N3O/c1-4-12-29(13-5-1)43-38-19-11-10-18-35(38)36-23-20-32(27-40(36)43)33-22-25-41-39(26-33)37-24-21-34(28-42(37)50-41)46-48-44(30-14-6-2-7-15-30)47-45(49-46)31-16-8-3-9-17-31/h1-28,43H
InChIKeyRVDZPXRJEDXIQC-UHFFFAOYSA-N
XLogP11.60
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.76
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-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-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-[8-[9-(9H-fluoren-9-yl)dibenzothiophen-2-yl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 169010868
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
3-[6-[2-(9-phenyl-9H-fluoren-3-yl)-9H-fluoren-9-yl]naphthalen-2-yl]dibenzofuran
CID 126753885
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine (CID 171597120) is 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)C(c5ccccc5)c5ccccc5-6)cc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is RVDZPXRJEDXIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3O/c1-4-12-29(13-5-1)43-38-19-11-10-18-35(38)36-23-20-32(27-40(36)43)33-22-25-41-39(26-33)37-24-21-34(28-42(37)50-41)46-48-44(30-14-6-2-7-15-30)47-45(49-46)31-16-8-3-9-17-31/h1-28,43H.
What are the key properties of 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 639.76 g/mol, XLogP of 11.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[8-(9-phenyl-9H-fluoren-2-yl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 171597120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).