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

C47H29N3O2 — CID 137301524

IUPAC4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4c3oc3ccccc34)N=C(c3cccc4oc5ccc(-c6ccc7ccc8ccccc8c7c6)cc5c34)N2)cc1
InChIInChI=1S/C47H29N3O2/c1-2-11-30(12-3-1)45-48-46(50-47(49-45)37-17-8-15-35-34-14-6-7-18-40(34)52-44(35)37)36-16-9-19-42-43(36)39-27-32(24-25-41(39)51-42)31-23-22-29-21-20-28-10-4-5-13-33(28)38(29)26-31/h1-27,45H,(H,48,49,50)
InChIKeyOHUKMVRBSBPHNN-UHFFFAOYSA-N
MW667.77 g/mol
LogP11.95
Rot. Bonds4

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

4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 137301524) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID137301524
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3cccc4c3oc3ccccc34)N=C(c3cccc4oc5ccc(-c6ccc7ccc8ccccc8c7c6)cc5c34)N2)cc1
InChIInChI=1S/C47H29N3O2/c1-2-11-30(12-3-1)45-48-46(50-47(49-45)37-17-8-15-35-34-14-6-7-18-40(34)52-44(35)37)36-16-9-19-42-43(36)39-27-32(24-25-41(39)51-42)31-23-22-29-21-20-28-10-4-5-13-33(28)38(29)26-31/h1-27,45H,(H,48,49,50)
InChIKeyOHUKMVRBSBPHNN-UHFFFAOYSA-N
XLogP11.95
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 511.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167029607
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
2-phenyl-6-(3-phenylphenyl)-4-[2-[8-(3-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 167029717
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846
4-phenanthren-9-yl-2-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167030279
4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174321217
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine (CID 137301524) is 4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3cccc4c3oc3ccccc34)N=C(c3cccc4oc5ccc(-c6ccc7ccc8ccccc8c7c6)cc5c34)N2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is OHUKMVRBSBPHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c1-2-11-30(12-3-1)45-48-46(50-47(49-45)37-17-8-15-35-34-14-6-7-18-40(34)52-44(35)37)36-16-9-19-42-43(36)39-27-32(24-25-41(39)51-42)31-23-22-29-21-20-28-10-4-5-13-33(28)38(29)26-31/h1-27,45H,(H,48,49,50).
What are the key properties of 4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine?
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 667.77 g/mol, XLogP of 11.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 137301524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).