2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine

C52H33N3O2 — CID 146322030

IUPAC2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4c3oc3c(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cccc34)=N2)cc1
InChIInChI=1S/C52H33N3O2/c1-3-15-32(16-4-1)49-53-50(33-17-5-2-6-18-33)55-51(54-49)40-24-14-23-39-38-22-13-21-35(47(38)57-48(39)40)34-29-30-46-44(31-34)52(43-27-11-12-28-45(43)56-46)41-25-9-7-19-36(41)37-20-8-10-26-42(37)52/h1-31,49H,(H,53,54,55)
InChIKeyOZTWKMOQIHMRGW-UHFFFAOYSA-N
MW731.86 g/mol
LogP12.22
Rot. Bonds4

About 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine

2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine (PubChem CID 146322030) has the molecular formula C52H33N3O2 and a molecular weight of 731.86 g/mol. Its IUPAC name is 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine
PubChem CID146322030
Molecular FormulaC52H33N3O2
Molecular Weight731.86 g/mol
Exact Mass731.26
IUPAC Name2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)NC(c3cccc4c3oc3c(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cccc34)=N2)cc1
InChIInChI=1S/C52H33N3O2/c1-3-15-32(16-4-1)49-53-50(33-17-5-2-6-18-33)55-51(54-49)40-24-14-23-39-38-22-13-21-35(47(38)57-48(39)40)34-29-30-46-44(31-34)52(43-27-11-12-28-45(43)56-46)41-25-9-7-19-36(41)37-20-8-10-26-42(37)52/h1-31,49H,(H,53,54,55)
InChIKeyOZTWKMOQIHMRGW-UHFFFAOYSA-N
XLogP12.22
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 512.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[3-[2-phenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]carbazole
CID 146322027
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-phenyl-4-(4-phenylphenyl)-6-[2-[2-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-4-yl]-9,9'-spirobi[fluorene]-2'-yl]-1,3,5-triazine
CID 88890940
6-[4-[2-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 145415039
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
12'-[2-phenyl-4-(6-phenyldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazin-6-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 162363424
2,4-diphenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 166961451
2'-(3-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]
CID 177298671
6-[3-(9,9-diphenylfluoren-3-yl)phenyl]-2-phenyl-4-triphenylen-2-yl-1,2-dihydro-1,3,5-triazine
CID 174243644
14-[4-(2,6-diphenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,9'-thioxanthene]
CID 146615950
2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 147530419

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine (CID 146322030) is 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)NC(c3cccc4c3oc3c(-c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)cccc34)=N2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is OZTWKMOQIHMRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2/c1-3-15-32(16-4-1)49-53-50(33-17-5-2-6-18-33)55-51(54-49)40-24-14-23-39-38-22-13-21-35(47(38)57-48(39)40)34-29-30-46-44(31-34)52(43-27-11-12-28-45(43)56-46)41-25-9-7-19-36(41)37-20-8-10-26-42(37)52/h1-31,49H,(H,53,54,55).
What are the key properties of 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine?
2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 731.86 g/mol, XLogP of 12.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(6-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-4-yl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 146322030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).