2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine

C85H54N12O — CID 88886295

IUPAC2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ncnc(-c3cccc(-c4cc(-c5cccc(-c6ncnc(-c7ccccc7)n6)c5)cc(C5(c6cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)c6)c6ccccc6Oc6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C85H54N12O/c1-5-21-55(22-6-1)77-86-51-90-81(94-77)63-33-17-29-59(41-63)67-45-68(60-30-18-34-64(42-60)82-91-52-87-78(95-82)56-23-7-2-8-24-56)48-71(47-67)85(73-37-13-15-39-75(73)98-76-40-16-14-38-74(76)85)72-49-69(61-31-19-35-65(43-61)83-92-53-88-79(96-83)57-25-9-3-10-26-57)46-70(50-72)62-32-20-36-66(44-62)84-93-54-89-80(97-84)58-27-11-4-12-28-58/h1-54H
InChIKeyYVYMHLMSXMDGOI-UHFFFAOYSA-N
MW1259.45 g/mol
LogP18.92
Rot. Bonds14

About 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine

2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine (PubChem CID 88886295) has the molecular formula C85H54N12O and a molecular weight of 1259.45 g/mol. Its IUPAC name is 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine
PubChem CID88886295
Molecular FormulaC85H54N12O
Molecular Weight1259.45 g/mol
Exact Mass1258.45
IUPAC Name2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine
SMILESc1ccc(-c2ncnc(-c3cccc(-c4cc(-c5cccc(-c6ncnc(-c7ccccc7)n6)c5)cc(C5(c6cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)c6)c6ccccc6Oc6ccccc65)c4)c3)n2)cc1
InChIInChI=1S/C85H54N12O/c1-5-21-55(22-6-1)77-86-51-90-81(94-77)63-33-17-29-59(41-63)67-45-68(60-30-18-34-64(42-60)82-91-52-87-78(95-82)56-23-7-2-8-24-56)48-71(47-67)85(73-37-13-15-39-75(73)98-76-40-16-14-38-74(76)85)72-49-69(61-31-19-35-65(43-61)83-92-53-88-79(96-83)57-25-9-3-10-26-57)46-70(50-72)62-32-20-36-66(44-62)84-93-54-89-80(97-84)58-27-11-4-12-28-58/h1-54H
InChIKeyYVYMHLMSXMDGOI-UHFFFAOYSA-N
XLogP18.92
TPSA163.91 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.45
LogP ≤ 518.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]xanthen-9-yl]-5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 158954649
2-[3-[3-[9-[3-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]xanthen-9-yl]phenyl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 88886307
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
2-[3-[9-[3,5-bis[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine;2-[3-[3-[9-[3,5-bis[3-(1,3,5-triazin-2-yl)phenyl]phenyl]-10,10-dimethylanthracen-9-yl]-5-[3-(1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 161464909
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297845
2-[3-[9-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine;2-[3-[9-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-9-yl]phenyl]-4,6-bis(3,5-diphenylphenyl)-1,3,5-triazine;2-phenyl-4-[3-[9-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine;2-[3-[9-[3-(1,3,5-triazin-2-yl)phenyl]fluoren-9-yl]phenyl]-1,3,5-triazine
CID 160651917
2-[4-(9,9-diphenylxanthen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146388551
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326904
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
4-[4-[4-(9,9-diphenylxanthen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 163439529
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine (CID 88886295) is 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine is c1ccc(-c2ncnc(-c3cccc(-c4cc(-c5cccc(-c6ncnc(-c7ccccc7)n6)c5)cc(C5(c6cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)cc(-c7cccc(-c8ncnc(-c9ccccc9)n8)c7)c6)c6ccccc6Oc6ccccc65)c4)c3)n2)cc1.
What is the InChIKey of 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine?
The InChIKey is YVYMHLMSXMDGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H54N12O/c1-5-21-55(22-6-1)77-86-51-90-81(94-77)63-33-17-29-59(41-63)67-45-68(60-30-18-34-64(42-60)82-91-52-87-78(95-82)56-23-7-2-8-24-56)48-71(47-67)85(73-37-13-15-39-75(73)98-76-40-16-14-38-74(76)85)72-49-69(61-31-19-35-65(43-61)83-92-53-88-79(96-83)57-25-9-3-10-26-57)46-70(50-72)62-32-20-36-66(44-62)84-93-54-89-80(97-84)58-27-11-4-12-28-58/h1-54H.
What are the key properties of 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine?
2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine has a molecular weight of 1259.45 g/mol, XLogP of 18.92, 14 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[9-[3,5-bis[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]xanthen-9-yl]-5-[3-(4-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4-phenyl-1,3,5-triazine is sourced from PubChem (CID 88886295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).