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

C56H32N4O3 — CID 155603342

IUPAC2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1
InChIInChI=1S/C56H32N4O3/c1-2-14-43(37(12-1)36-11-10-30-57-32-36)56-59-54(58-55(60-56)35-26-27-40-39-13-3-6-18-46(39)62-50(40)31-35)34-24-22-33(23-25-34)38-28-29-42(52-45-16-5-8-20-48(45)63-53(38)52)41-17-9-21-49-51(41)44-15-4-7-19-47(44)61-49/h1-32H
InChIKeyGKSQVLBLOOKFEH-UHFFFAOYSA-N
MW808.90 g/mol
LogP14.97
Rot. Bonds6

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

2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 155603342) has the molecular formula C56H32N4O3 and a molecular weight of 808.90 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID155603342
Molecular FormulaC56H32N4O3
Molecular Weight808.90 g/mol
Exact Mass808.25
IUPAC Name2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1
InChIInChI=1S/C56H32N4O3/c1-2-14-43(37(12-1)36-11-10-30-57-32-36)56-59-54(58-55(60-56)35-26-27-40-39-13-3-6-18-46(39)62-50(40)31-35)34-24-22-33(23-25-34)38-28-29-42(52-45-16-5-8-20-48(45)63-53(38)52)41-17-9-21-49-51(41)44-15-4-7-19-47(44)61-49/h1-32H
InChIKeyGKSQVLBLOOKFEH-UHFFFAOYSA-N
XLogP14.97
TPSA90.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.90
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 155077751
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
2-dibenzofuran-3-yl-4-(1-dibenzofuran-3-yldibenzofuran-4-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155077776
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-pyridin-3-yl-1,3,5-triazine
CID 159359040
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077944
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077970
2-dibenzofuran-3-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155078918
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-pyridin-3-yl-1,3,5-triazine
CID 155079026
4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077831
2-dibenzofuran-4-yl-4-[4-(9-dibenzofuran-1-yldibenzofuran-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166845989

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine (CID 155603342) is 2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine is c1cncc(-c2ccccc2-c2nc(-c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)c1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is GKSQVLBLOOKFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N4O3/c1-2-14-43(37(12-1)36-11-10-30-57-32-36)56-59-54(58-55(60-56)35-26-27-40-39-13-3-6-18-46(39)62-50(40)31-35)34-24-22-33(23-25-34)38-28-29-42(52-45-16-5-8-20-48(45)63-53(38)52)41-17-9-21-49-51(41)44-15-4-7-19-47(44)61-49/h1-32H.
What are the key properties of 2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 808.90 g/mol, XLogP of 14.97, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155603342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).