4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine

C43H31N3O — CID 167029875

IUPAC4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5cc(-c6ccc(-c7ccccc7)c7ccccc67)ccc5c34)N2)cc1
InChIInChI=1S/C43H31N3O/c1-4-13-28(14-5-1)32-25-26-33(35-20-11-10-19-34(32)35)31-23-24-36-39(27-31)47-38-22-12-21-37(40(36)38)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27,41,43,45H,(H,44,46)
InChIKeyMDLAFXITHDWWLQ-UHFFFAOYSA-N
MW605.74 g/mol
LogP10.41
Rot. Bonds5

About 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine

4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 167029875) has the molecular formula C43H31N3O and a molecular weight of 605.74 g/mol. Its IUPAC name is 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID167029875
Molecular FormulaC43H31N3O
Molecular Weight605.74 g/mol
Exact Mass605.25
IUPAC Name4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5cc(-c6ccc(-c7ccccc7)c7ccccc67)ccc5c34)N2)cc1
InChIInChI=1S/C43H31N3O/c1-4-13-28(14-5-1)32-25-26-33(35-20-11-10-19-34(32)35)31-23-24-36-39(27-31)47-38-22-12-21-37(40(36)38)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27,41,43,45H,(H,44,46)
InChIKeyMDLAFXITHDWWLQ-UHFFFAOYSA-N
XLogP10.41
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 510.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

4,6-diphenyl-2-(4-triphenylen-2-ylnaphthalen-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 166696111
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978
2-(6,8-dipyridin-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142343014
6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
2-(3-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-6-phenanthren-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029886
6-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)naphthalen-1-yl]-[1]benzofuro[3,2-g]isoquinoline
CID 166800197
9-[7-[7-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-4-yl]carbazole
CID 163525091
4-[3-(8-naphthalen-1-yldibenzofuran-1-yl)phenyl]-2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 134198760
2-dibenzofuran-1-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146544048
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine (CID 167029875) is 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4oc5cc(-c6ccc(-c7ccccc7)c7ccccc67)ccc5c34)N2)cc1.
What is the InChIKey of 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is MDLAFXITHDWWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N3O/c1-4-13-28(14-5-1)32-25-26-33(35-20-11-10-19-34(32)35)31-23-24-36-39(27-31)47-38-22-12-21-37(40(36)38)43-45-41(29-15-6-2-7-16-29)44-42(46-43)30-17-8-3-9-18-30/h1-27,41,43,45H,(H,44,46).
What are the key properties of 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine?
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 605.74 g/mol, XLogP of 10.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 167029875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).