2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine

C61H37N3O2 — CID 177079118

IUPAC2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3)c(-c3ccccc3)c(-c3cccc4c3Oc3cccc5cccc-4c35)c2)cc1
InChIInChI=1S/C61H37N3O2/c1-4-17-38(18-5-1)44-36-51(55(39-19-6-2-7-20-39)52(37-44)49-31-15-30-48-46-28-13-23-40-24-14-34-54(56(40)46)66-57(48)49)42-25-12-26-43(35-42)60-62-59(41-21-8-3-9-22-41)63-61(64-60)50-32-16-29-47-45-27-10-11-33-53(45)65-58(47)50/h1-37H
InChIKeyDPHCLTXJBUZHCS-UHFFFAOYSA-N
MW843.99 g/mol
LogP16.37
Rot. Bonds7

About 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 177079118) has the molecular formula C61H37N3O2 and a molecular weight of 843.99 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine
PubChem CID177079118
Molecular FormulaC61H37N3O2
Molecular Weight843.99 g/mol
Exact Mass843.29
IUPAC Name2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3)c(-c3ccccc3)c(-c3cccc4c3Oc3cccc5cccc-4c35)c2)cc1
InChIInChI=1S/C61H37N3O2/c1-4-17-38(18-5-1)44-36-51(55(39-19-6-2-7-20-39)52(37-44)49-31-15-30-48-46-28-13-23-40-24-14-34-54(56(40)46)66-57(48)49)42-25-12-26-43(35-42)60-62-59(41-21-8-3-9-22-41)63-61(64-60)50-32-16-29-47-45-27-10-11-33-53(45)65-58(47)50/h1-37H
InChIKeyDPHCLTXJBUZHCS-UHFFFAOYSA-N
XLogP16.37
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.99
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-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-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164937200
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177078939
2-[4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078968
2-dibenzofuran-4-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079173
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 177079021
2-dibenzofuran-1-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079122
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349302
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
4-[4-[4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079215
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine (CID 177079118) is 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc6c5oc5ccccc56)n4)c3)c(-c3ccccc3)c(-c3cccc4c3Oc3cccc5cccc-4c35)c2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is DPHCLTXJBUZHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37N3O2/c1-4-17-38(18-5-1)44-36-51(55(39-19-6-2-7-20-39)52(37-44)49-31-15-30-48-46-28-13-23-40-24-14-34-54(56(40)46)66-57(48)49)42-25-12-26-43(35-42)60-62-59(41-21-8-3-9-22-41)63-61(64-60)50-32-16-29-47-45-27-10-11-33-53(45)65-58(47)50/h1-37H.
What are the key properties of 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 843.99 g/mol, XLogP of 16.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-6-yl)-2,5-diphenylphenyl]phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 177079118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).