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

C58H40N4O2 — CID 142570608

IUPAC4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane
SMILESCCC.c1ccc(-c2nc(-c3cccc(-n4c5cc6ccccc6cc5c5cccc(-c6ccc7oc8ccccc8c7c6)c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C55H32N4O2.C3H8/c1-2-12-33(13-3-1)53-56-54(58-55(57-53)38-24-26-43-41-18-6-8-22-48(41)61-51(43)32-38)37-16-10-17-39(28-37)59-47-31-35-15-5-4-14-34(35)29-45(47)44-21-11-20-40(52(44)59)36-25-27-50-46(30-36)42-19-7-9-23-49(42)60-50;1-3-2/h1-32H;3H2,1-2H3
InChIKeyGJGTVAZYFXNCDR-UHFFFAOYSA-N
MW824.98 g/mol
LogP16.00
Rot. Bonds5

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

4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane (PubChem CID 142570608) has the molecular formula C58H40N4O2 and a molecular weight of 824.98 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane
PubChem CID142570608
Molecular FormulaC58H40N4O2
Molecular Weight824.98 g/mol
Exact Mass824.32
IUPAC Name4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane
SMILESCCC.c1ccc(-c2nc(-c3cccc(-n4c5cc6ccccc6cc5c5cccc(-c6ccc7oc8ccccc8c7c6)c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C55H32N4O2.C3H8/c1-2-12-33(13-3-1)53-56-54(58-55(57-53)38-24-26-43-41-18-6-8-22-48(41)61-51(43)32-38)37-16-10-17-39(28-37)59-47-31-35-15-5-4-14-34(35)29-45(47)44-21-11-20-40(52(44)59)36-25-27-50-46(30-36)42-19-7-9-23-49(42)60-50;1-3-2/h1-32H;3H2,1-2H3
InChIKeyGJGTVAZYFXNCDR-UHFFFAOYSA-N
XLogP16.00
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.98
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane with MolForge

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Related Compounds

9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-naphtho[2,1-b][1]benzofuran-9-yl-6-phenylcarbazole
CID 142570054
4-dibenzofuran-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[b]carbazole
CID 142571859
6-carbazol-9-yl-1-(3-dibenzofuran-2-ylphenyl)-9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 142568463
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(9,9-dimethylfluoren-3-yl)phenyl]benzo[b]carbazole
CID 142569233
1-[2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]-9-phenylcarbazole
CID 170191958
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
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651
6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
CID 155201239
5-[3-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 166917850
1-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole;1-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6,9-diphenylcarbazole;2-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6,9-diphenylcarbazole
CID 157292587
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

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane?
The IUPAC name of 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane (CID 142570608) is 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane.
What is the SMILES notation for 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane?
The canonical SMILES for 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane is CCC.c1ccc(-c2nc(-c3cccc(-n4c5cc6ccccc6cc5c5cccc(-c6ccc7oc8ccccc8c7c6)c54)c3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane?
The InChIKey is GJGTVAZYFXNCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O2.C3H8/c1-2-12-33(13-3-1)53-56-54(58-55(57-53)38-24-26-43-41-18-6-8-22-48(41)61-51(43)32-38)37-16-10-17-39(28-37)59-47-31-35-15-5-4-14-34(35)29-45(47)44-21-11-20-40(52(44)59)36-25-27-50-46(30-36)42-19-7-9-23-49(42)60-50;1-3-2/h1-32H;3H2,1-2H3.
What are the key properties of 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane?
4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane has a molecular weight of 824.98 g/mol, XLogP of 16.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole;propane is sourced from PubChem (CID 142570608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).