2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine

C57H35N3O2 — CID 155077744

IUPAC2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)c6c5oc5ccccc56)cc4)n3)c2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-15-36(16-5-1)41-33-42(37-17-6-2-7-18-37)35-43(34-41)57-59-55(39-19-8-3-9-20-39)58-56(60-57)40-29-27-38(28-30-40)44-31-32-46(52-49-22-11-13-26-51(49)62-54(44)52)48-24-14-23-47-45-21-10-12-25-50(45)61-53(47)48/h1-35H
InChIKeyKNEFDQDMIAYTKM-UHFFFAOYSA-N
MW793.93 g/mol
LogP15.34
Rot. Bonds7

About 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine

2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine (PubChem CID 155077744) has the molecular formula C57H35N3O2 and a molecular weight of 793.93 g/mol. Its IUPAC name is 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
PubChem CID155077744
Molecular FormulaC57H35N3O2
Molecular Weight793.93 g/mol
Exact Mass793.27
IUPAC Name2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)c6c5oc5ccccc56)cc4)n3)c2)cc1
InChIInChI=1S/C57H35N3O2/c1-4-15-36(16-5-1)41-33-42(37-17-6-2-7-18-37)35-43(34-41)57-59-55(39-19-8-3-9-20-39)58-56(60-57)40-29-27-38(28-30-40)44-31-32-46(52-49-22-11-13-26-51(49)62-54(44)52)48-24-14-23-47-45-21-10-12-25-50(45)61-53(47)48/h1-35H
InChIKeyKNEFDQDMIAYTKM-UHFFFAOYSA-N
XLogP15.34
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.93
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078421
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078181
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2,4-diphenyl-6-[6-(4-phenyldibenzofuran-1-yl)dibenzofuran-4-yl]-1,3,5-triazine
CID 170378330
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 155079146
2-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741910
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
2-(9-dibenzofuran-4-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 155377329
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine (CID 155077744) is 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)c6c5oc5ccccc56)cc4)n3)c2)cc1.
What is the InChIKey of 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine?
The InChIKey is KNEFDQDMIAYTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O2/c1-4-15-36(16-5-1)41-33-42(37-17-6-2-7-18-37)35-43(34-41)57-59-55(39-19-8-3-9-20-39)58-56(60-57)40-29-27-38(28-30-40)44-31-32-46(52-49-22-11-13-26-51(49)62-54(44)52)48-24-14-23-47-45-21-10-12-25-50(45)61-53(47)48/h1-35H.
What are the key properties of 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine?
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine has a molecular weight of 793.93 g/mol, XLogP of 15.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155077744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).