4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine

C57H37N3O2 — CID 156575048

IUPAC4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4ccc(-c5ccccc5)c5oc6c(-c7ccc8c(c7)oc7ccccc78)cccc6c45)=NC(c4cccc(-c5ccccc5)c4)N3)c2)cc1
InChIInChI=1S/C57H37N3O2/c1-4-15-36(16-5-1)39-21-12-23-42(33-39)55-58-56(43-24-13-22-40(34-43)37-17-6-2-7-18-37)60-57(59-55)49-32-31-45(38-19-8-3-9-20-38)54-52(49)48-27-14-26-44(53(48)62-54)41-29-30-47-46-25-10-11-28-50(46)61-51(47)35-41/h1-35,55H,(H,58,59,60)
InChIKeyYCIBMRWNZHFGCF-UHFFFAOYSA-N
MW795.94 g/mol
LogP14.65
Rot. Bonds7

About 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine

4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 156575048) has the molecular formula C57H37N3O2 and a molecular weight of 795.94 g/mol. Its IUPAC name is 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID156575048
Molecular FormulaC57H37N3O2
Molecular Weight795.94 g/mol
Exact Mass795.29
IUPAC Name4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2cccc(C3=NC(c4ccc(-c5ccccc5)c5oc6c(-c7ccc8c(c7)oc7ccccc78)cccc6c45)=NC(c4cccc(-c5ccccc5)c4)N3)c2)cc1
InChIInChI=1S/C57H37N3O2/c1-4-15-36(16-5-1)39-21-12-23-42(33-39)55-58-56(43-24-13-22-40(34-43)37-17-6-2-7-18-37)60-57(59-55)49-32-31-45(38-19-8-3-9-20-38)54-52(49)48-27-14-26-44(53(48)62-54)41-29-30-47-46-25-10-11-28-50(46)61-51(47)35-41/h1-35,55H,(H,58,59,60)
InChIKeyYCIBMRWNZHFGCF-UHFFFAOYSA-N
XLogP14.65
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.94
LogP ≤ 514.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-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

4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
4-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
4-(1-dibenzofuran-4-yl-9,9-dimethylfluoren-4-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137099451
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170294290
5-(6-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-(3-phenylphenyl)-1,2-dihydro-[1]benzofuro[2,3-b]pyridine
CID 159444306

Frequently Asked Questions

What is the IUPAC name of 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 156575048) is 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(-c2cccc(C3=NC(c4ccc(-c5ccccc5)c5oc6c(-c7ccc8c(c7)oc7ccccc78)cccc6c45)=NC(c4cccc(-c5ccccc5)c4)N3)c2)cc1.
What is the InChIKey of 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is YCIBMRWNZHFGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N3O2/c1-4-15-36(16-5-1)39-21-12-23-42(33-39)55-58-56(43-24-13-22-40(34-43)37-17-6-2-7-18-37)60-57(59-55)49-32-31-45(38-19-8-3-9-20-38)54-52(49)48-27-14-26-44(53(48)62-54)41-29-30-47-46-25-10-11-28-50(46)61-51(47)35-41/h1-35,55H,(H,58,59,60).
What are the key properties of 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 795.94 g/mol, XLogP of 14.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 156575048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).