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

C53H31N3O2 — CID 140946390

IUPAC2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccc(-c7cc8ccccc8c8ccccc78)cc6c45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C53H31N3O2/c1-2-12-32(13-3-1)51-54-52(56-53(55-51)37-25-27-47-44(31-37)42-20-8-9-22-46(42)57-47)36-16-10-15-33(28-36)39-21-11-23-49-50(39)45-30-35(24-26-48(45)58-49)43-29-34-14-4-5-17-38(34)40-18-6-7-19-41(40)43/h1-31H
InChIKeyOLXFYUBUSYPYCM-UHFFFAOYSA-N
MW741.85 g/mol
LogP14.31
Rot. Bonds5

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

2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 140946390) has the molecular formula C53H31N3O2 and a molecular weight of 741.85 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID140946390
Molecular FormulaC53H31N3O2
Molecular Weight741.85 g/mol
Exact Mass741.24
IUPAC Name2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccc(-c7cc8ccccc8c8ccccc78)cc6c45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C53H31N3O2/c1-2-12-32(13-3-1)51-54-52(56-53(55-51)37-25-27-47-44(31-37)42-20-8-9-22-46(42)57-47)36-16-10-15-33(28-36)39-21-11-23-49-50(39)45-30-35(24-26-48(45)58-49)43-29-34-14-4-5-17-38(34)40-18-6-7-19-41(40)43/h1-31H
InChIKeyOLXFYUBUSYPYCM-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-(3-dibenzofuran-2-ylphenyl)-4-(8-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 134198849
2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134199357
2-dibenzofuran-2-yl-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741837
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170010934
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-(8-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166742596
2-phenyl-4-(4-phenylphenyl)-6-(9-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 166952974
2-dibenzothiophen-2-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198924
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-2-(3-phenanthren-9-ylphenyl)-6-phenylpyrimidine;4-(4-dibenzofuran-1-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine;4-(4-dibenzofuran-3-ylphenyl)-2-phenyl-6-(4-triphenylen-2-ylphenyl)pyrimidine
CID 158640831
2-(9,9-dimethylfluoren-2-yl)-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946336
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 140946390) is 2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cccc5oc6ccc(-c7cc8ccccc8c8ccccc78)cc6c45)c3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is OLXFYUBUSYPYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O2/c1-2-12-32(13-3-1)51-54-52(56-53(55-51)37-25-27-47-44(31-37)42-20-8-9-22-46(42)57-47)36-16-10-15-33(28-36)39-21-11-23-49-50(39)45-30-35(24-26-48(45)58-49)43-29-34-14-4-5-17-38(34)40-18-6-7-19-41(40)43/h1-31H.
What are the key properties of 2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-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-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 140946390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).