10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine

C52H36N4O2 — CID 146321847

IUPAC10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine
SMILESc1ccc(C2=NC(N3c4ccccc4Oc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cccc43)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C52H36N4O2/c1-3-17-33(18-4-1)49-53-50(34-19-5-2-6-20-34)55-51(54-49)56-42-28-11-14-32-46(42)58-48-36(23-16-29-43(48)56)35-22-15-27-41-47(35)37-21-7-8-24-38(37)52(41)39-25-9-12-30-44(39)57-45-31-13-10-26-40(45)52/h1-32,49,51,54H,(H,53,55)
InChIKeyZNDSJFUJEDYPIF-UHFFFAOYSA-N
MW748.89 g/mol
LogP11.69
Rot. Bonds4

About 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine

10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine (PubChem CID 146321847) has the molecular formula C52H36N4O2 and a molecular weight of 748.89 g/mol. Its IUPAC name is 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine.

Molecular Properties

Compound Name10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine
PubChem CID146321847
Molecular FormulaC52H36N4O2
Molecular Weight748.89 g/mol
Exact Mass748.28
IUPAC Name10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine
SMILESc1ccc(C2=NC(N3c4ccccc4Oc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cccc43)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C52H36N4O2/c1-3-17-33(18-4-1)49-53-50(34-19-5-2-6-20-34)55-51(54-49)56-42-28-11-14-32-46(42)58-48-36(23-16-29-43(48)56)35-22-15-27-41-47(35)37-21-7-8-24-38(37)52(41)39-25-9-12-30-44(39)57-45-31-13-10-26-40(45)52/h1-32,49,51,54H,(H,53,55)
InChIKeyZNDSJFUJEDYPIF-UHFFFAOYSA-N
XLogP11.69
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.89
LogP ≤ 511.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 147530419
2-phenyl-6-(4-phenylnaphthalen-1-yl)-4-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931854
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
11-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 166961471
N-(2-phenylphenyl)-N-(2-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476846
3-amino-5-[4'-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]benzonitrile
CID 139476567
8-[7-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]spiro[fluorene-9,9'-xanthene]-2-yl]isoquinoline
CID 163570159
2,4-diphenyl-6-(5-spiro[fluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)-1,4-dihydro-1,3,5-triazine
CID 155443117
2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)phenyl]-1,2,3,4-tetrahydropyrimidine
CID 129263795
CID 146184521
CID 146184521

Frequently Asked Questions

What is the IUPAC name of 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine?
The IUPAC name of 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine (CID 146321847) is 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine.
What is the SMILES notation for 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine?
The canonical SMILES for 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine is c1ccc(C2=NC(N3c4ccccc4Oc4c(-c5cccc6c5-c5ccccc5C65c6ccccc6Oc6ccccc65)cccc43)NC(c3ccccc3)N2)cc1.
What is the InChIKey of 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine?
The InChIKey is ZNDSJFUJEDYPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4O2/c1-3-17-33(18-4-1)49-53-50(34-19-5-2-6-20-34)55-51(54-49)56-42-28-11-14-32-46(42)58-48-36(23-16-29-43(48)56)35-22-15-27-41-47(35)37-21-7-8-24-38(37)52(41)39-25-9-12-30-44(39)57-45-31-13-10-26-40(45)52/h1-32,49,51,54H,(H,53,55).
What are the key properties of 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine?
10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine has a molecular weight of 748.89 g/mol, XLogP of 11.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)-4-spiro[fluorene-9,9'-xanthene]-4-ylphenoxazine is sourced from PubChem (CID 146321847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).