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

C45H31N3O — CID 170246810

IUPAC2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)N=C(c3cc(-c4ccc(-c5ccccc5)cc4)cc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H31N3O/c1-4-12-30(13-5-1)32-20-22-34(23-21-32)37-28-39(42-38-18-10-11-19-40(38)49-41(42)29-37)45-47-43(35-16-8-3-9-17-35)46-44(48-45)36-26-24-33(25-27-36)31-14-6-2-7-15-31/h1-29,44H,(H,46,47,48)
InChIKeyIYDIOAXIQFRTMX-UHFFFAOYSA-N
MW629.76 g/mol
LogP11.08
Rot. Bonds6

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

2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 170246810) has the molecular formula C45H31N3O and a molecular weight of 629.76 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID170246810
Molecular FormulaC45H31N3O
Molecular Weight629.76 g/mol
Exact Mass629.25
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)N=C(c3cc(-c4ccc(-c5ccccc5)cc4)cc4oc5ccccc5c34)N2)cc1
InChIInChI=1S/C45H31N3O/c1-4-12-30(13-5-1)32-20-22-34(23-21-32)37-28-39(42-38-18-10-11-19-40(38)49-41(42)29-37)45-47-43(35-16-8-3-9-17-35)46-44(48-45)36-26-24-33(25-27-36)31-14-6-2-7-15-31/h1-29,44H,(H,46,47,48)
InChIKeyIYDIOAXIQFRTMX-UHFFFAOYSA-N
XLogP11.08
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 511.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-naphthalen-2-yl-2-(3-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174327608
2,4-diphenyl-6-[1-(4-phenylphenyl)dibenzofuran-3-yl]-1,4-dihydro-1,3,5-triazine
CID 163827341
4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170289982
2-(4-chlorophenyl)-6-dibenzofuran-1-yl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170264704
2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 170290357
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
2-(7-chlorodibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030218
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326
1-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)-3-phenyl-[1]benzofuro[2,3-b]quinoline
CID 166799970
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (CID 170246810) is 2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)N=C(c3cc(-c4ccc(-c5ccccc5)cc4)cc4oc5ccccc5c34)N2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is IYDIOAXIQFRTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O/c1-4-12-30(13-5-1)32-20-22-34(23-21-32)37-28-39(42-38-18-10-11-19-40(38)49-41(42)29-37)45-47-43(35-16-8-3-9-17-35)46-44(48-45)36-26-24-33(25-27-36)31-14-6-2-7-15-31/h1-29,44H,(H,46,47,48).
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 629.76 g/mol, XLogP of 11.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170246810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).