4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane

C57H38N4O2 — CID 142568556

IUPAC4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)n2)cc1
InChIInChI=1S/C55H32N4O2.C2H6/c1-2-13-33(14-3-1)53-56-54(38-27-28-43-41-19-6-8-25-48(41)60-50(43)32-38)58-55(57-53)59-47-31-35-16-5-4-15-34(35)30-46(47)44-23-11-21-39(51(44)59)36-17-10-18-37(29-36)40-22-12-24-45-42-20-7-9-26-49(42)61-52(40)45;1-2/h1-32H;1-2H3
InChIKeyKLXYLCFJMZVNAX-UHFFFAOYSA-N
MW810.96 g/mol
LogP15.61
Rot. Bonds5

About 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane

4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane (PubChem CID 142568556) has the molecular formula C57H38N4O2 and a molecular weight of 810.96 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
PubChem CID142568556
Molecular FormulaC57H38N4O2
Molecular Weight810.96 g/mol
Exact Mass810.30
IUPAC Name4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane
SMILESCC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)n2)cc1
InChIInChI=1S/C55H32N4O2.C2H6/c1-2-13-33(14-3-1)53-56-54(38-27-28-43-41-19-6-8-25-48(41)60-50(43)32-38)58-55(57-53)59-47-31-35-16-5-4-15-34(35)30-46(47)44-23-11-21-39(51(44)59)36-17-10-18-37(29-36)40-22-12-24-45-42-20-7-9-26-49(42)61-52(40)45;1-2/h1-32H;1-2H3
InChIKeyKLXYLCFJMZVNAX-UHFFFAOYSA-N
XLogP15.61
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.96
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane 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-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 142567912
4-dibenzofuran-4-yl-5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142570342
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-naphtho[2,3-b][1]benzofuran-6-ylbenzo[b]carbazole
CID 142570024
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
1-(3-dibenzofuran-4-ylphenyl)-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole;ethane
CID 142567985
4-dibenzofuran-4-yl-5-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole;methane
CID 142571046
12-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166917707
1-(3-dibenzofuran-4-ylphenyl)-9-[3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;ethane
CID 142568284
6-carbazol-9-yl-1-(3-dibenzofuran-4-ylphenyl)-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole;propane
CID 142568683
5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4-(9,9-dimethylfluoren-3-yl)benzo[b]carbazole
CID 142570978
6-dibenzofuran-4-yl-9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(3-dibenzothiophen-3-ylphenyl)carbazole
CID 163840544
5-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-4-naphtho[2,1-b][1]benzofuran-10-ylbenzo[b]carbazole
CID 142572067

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane?
The IUPAC name of 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane (CID 142568556) is 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane.
What is the SMILES notation for 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane?
The canonical SMILES for 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane is CC.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccccc34)nc(-n3c4cc5ccccc5cc4c4cccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c43)n2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane?
The InChIKey is KLXYLCFJMZVNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O2.C2H6/c1-2-13-33(14-3-1)53-56-54(38-27-28-43-41-19-6-8-25-48(41)60-50(43)32-38)58-55(57-53)59-47-31-35-16-5-4-15-34(35)30-46(47)44-23-11-21-39(51(44)59)36-17-10-18-37(29-36)40-22-12-24-45-42-20-7-9-26-49(42)61-52(40)45;1-2/h1-32H;1-2H3.
What are the key properties of 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane?
4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane has a molecular weight of 810.96 g/mol, XLogP of 15.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-ylphenyl)-5-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[b]carbazole;ethane is sourced from PubChem (CID 142568556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).