2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C53H31N3O2 — CID 134198849

IUPAC2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3cccc4oc5ccc(-c6cc7ccccc7c7ccccc67)cc5c34)n2)cc1
InChIInChI=1S/C53H31N3O2/c1-2-12-32(13-3-1)51-54-52(37-16-10-15-33(28-37)34-24-26-47-44(29-34)41-20-8-9-22-46(41)57-47)56-53(55-51)42-21-11-23-49-50(42)45-31-36(25-27-48(45)58-49)43-30-35-14-4-5-17-38(35)39-18-6-7-19-40(39)43/h1-31H
InChIKeyXEBBMCMXJWJNMI-UHFFFAOYSA-N
MW741.85 g/mol
LogP14.31
Rot. Bonds5

About 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 134198849) has the molecular formula C53H31N3O2 and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID134198849
Molecular FormulaC53H31N3O2
Molecular Weight741.85 g/mol
Exact Mass741.24
IUPAC Name2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3cccc4oc5ccc(-c6cc7ccccc7c7ccccc67)cc5c34)n2)cc1
InChIInChI=1S/C53H31N3O2/c1-2-12-32(13-3-1)51-54-52(37-16-10-15-33(28-37)34-24-26-47-44(29-34)41-20-8-9-22-46(41)57-47)56-53(55-51)42-21-11-23-49-50(42)45-31-36(25-27-48(45)58-49)43-30-35-14-4-5-17-38(35)39-18-6-7-19-40(39)43/h1-31H
InChIKeyXEBBMCMXJWJNMI-UHFFFAOYSA-N
XLogP14.31
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.85
LogP ≤ 514.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946390
2-dibenzofuran-2-yl-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741837
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2-(8-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166742596
2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134199357
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-[8-(3,4-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-3-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine;2-(8-phenanthren-9-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 159325303
2-(8-chrysen-2-yldibenzofuran-1-yl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 140946810
2-dibenzofuran-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 157056344
2-(8-phenanthren-2-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 142353054
2,4-di(dibenzofuran-1-yl)-6-[3-(10-phenylphenanthren-3-yl)phenyl]-1,3,5-triazine
CID 174314994

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 134198849) is 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccc5oc6ccccc6c5c4)c3)nc(-c3cccc4oc5ccc(-c6cc7ccccc7c7ccccc67)cc5c34)n2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is XEBBMCMXJWJNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2/c1-2-12-32(13-3-1)51-54-52(37-16-10-15-33(28-37)34-24-26-47-44(29-34)41-20-8-9-22-46(41)57-47)56-53(55-51)42-21-11-23-49-50(42)45-31-36(25-27-48(45)58-49)43-30-35-14-4-5-17-38(35)39-18-6-7-19-40(39)43/h1-31H.
What are the key properties of 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 741.85 g/mol, XLogP of 14.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 134198849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).