1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine

C47H35N3O — CID 163589746

IUPAC1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc3oc4ccccc4c23)=NC1c1ccccc1
InChIInChI=1S/C47H35N3O/c1-50-45(33-19-7-2-8-20-33)48-44(49-46(50)34-21-9-3-10-22-34)40-31-38(32-42-43(40)39-29-17-18-30-41(39)51-42)47(35-23-11-4-12-24-35,36-25-13-5-14-26-36)37-27-15-6-16-28-37/h2-32,45H,1H3
InChIKeyGONANXYZIMOJFY-UHFFFAOYSA-N
MW657.82 g/mol
LogP10.81
Rot. Bonds7

About 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine

1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine (PubChem CID 163589746) has the molecular formula C47H35N3O and a molecular weight of 657.82 g/mol. Its IUPAC name is 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine.

Molecular Properties

Compound Name1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine
PubChem CID163589746
Molecular FormulaC47H35N3O
Molecular Weight657.82 g/mol
Exact Mass657.28
IUPAC Name1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc3oc4ccccc4c23)=NC1c1ccccc1
InChIInChI=1S/C47H35N3O/c1-50-45(33-19-7-2-8-20-33)48-44(49-46(50)34-21-9-3-10-22-34)40-31-38(32-42-43(40)39-29-17-18-30-41(39)51-42)47(35-23-11-4-12-24-35,36-25-13-5-14-26-36)37-27-15-6-16-28-37/h2-32,45H,1H3
InChIKeyGONANXYZIMOJFY-UHFFFAOYSA-N
XLogP10.81
TPSA41.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 510.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
CID 170230680
2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine
CID 170132488
2-(8-bromodibenzofuran-3-yl)-1-methyl-4,6-diphenyl-2H-1,3,5-triazine
CID 155201291
2-[8-[3-(1-methyl-4,6-diphenyl-2H-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]-6,8-diphenylpyrido[1,2-a][1,3,5]triazin-4-one
CID 156646879
3-[9-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 118004609
6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine
CID 171587273
2-[4-[7-[4-(1-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139551278
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755
9-[6-dibenzofuran-1-yl-2-(4-tritylphenyl)pyrimidin-4-yl]carbazole
CID 162479863
9-[2-bromo-6-(3-methyl-2,6-diphenyl-2H-1,3,5-triazin-4-yl)phenyl]carbazole
CID 135160707
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
3-methyl-1-phenyldibenzofuran
CID 129266933

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine?
The IUPAC name of 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine (CID 163589746) is 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine.
What is the SMILES notation for 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine?
The canonical SMILES for 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc3oc4ccccc4c23)=NC1c1ccccc1.
What is the InChIKey of 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine?
The InChIKey is GONANXYZIMOJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O/c1-50-45(33-19-7-2-8-20-33)48-44(49-46(50)34-21-9-3-10-22-34)40-31-38(32-42-43(40)39-29-17-18-30-41(39)51-42)47(35-23-11-4-12-24-35,36-25-13-5-14-26-36)37-27-15-6-16-28-37/h2-32,45H,1H3.
What are the key properties of 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine?
1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine has a molecular weight of 657.82 g/mol, XLogP of 10.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,6-diphenyl-4-(3-trityldibenzofuran-1-yl)-2H-1,3,5-triazine is sourced from PubChem (CID 163589746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).