2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine

C61H38N6O — CID 153297786

IUPAC2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc4-5)cc3)n2)cc1
InChIInChI=1S/C61H38N6O/c1-5-18-40(19-6-1)55-62-56(41-20-7-2-8-21-41)65-59(64-55)44-34-32-39(33-35-44)46-26-17-27-47-48-38-45(60-66-57(42-22-9-3-10-23-42)63-58(67-60)43-24-11-4-12-25-43)36-37-49(48)61(54(46)47)50-28-13-15-30-52(50)68-53-31-16-14-29-51(53)61/h1-38H
InChIKeyTYMUNIIMHMESLG-UHFFFAOYSA-N
MW871.02 g/mol
LogP14.19
Rot. Bonds7

About 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 153297786) has the molecular formula C61H38N6O and a molecular weight of 871.02 g/mol. Its IUPAC name is 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID153297786
Molecular FormulaC61H38N6O
Molecular Weight871.02 g/mol
Exact Mass870.31
IUPAC Name2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc4-5)cc3)n2)cc1
InChIInChI=1S/C61H38N6O/c1-5-18-40(19-6-1)55-62-56(41-20-7-2-8-21-41)65-59(64-55)44-34-32-39(33-35-44)46-26-17-27-47-48-38-45(60-66-57(42-22-9-3-10-23-42)63-58(67-60)43-24-11-4-12-25-43)36-37-49(48)61(54(46)47)50-28-13-15-30-52(50)68-53-31-16-14-29-51(53)61/h1-38H
InChIKeyTYMUNIIMHMESLG-UHFFFAOYSA-N
XLogP14.19
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.02
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 149001752
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 153297911
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297866
2-[6-(4,6-diphenylpyrimidin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297762
2-[6-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722
4,6-diphenyl-2-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)pyrimidine
CID 166737824
2,4-diphenyl-6-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazine
CID 153297678
2,4-diphenyl-6-(7-phenylspiro[fluorene-9,9'-xanthene]-1-yl)-1,3,5-triazine
CID 154596998
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
2-[3-[4-[4-[7-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 163776996

Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 153297786) is 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4C4(c6ccccc6Oc6ccccc64)c4ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc4-5)cc3)n2)cc1.
What is the InChIKey of 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is TYMUNIIMHMESLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N6O/c1-5-18-40(19-6-1)55-62-56(41-20-7-2-8-21-41)65-59(64-55)44-34-32-39(33-35-44)46-26-17-27-47-48-38-45(60-66-57(42-22-9-3-10-23-42)63-58(67-60)43-24-11-4-12-25-43)36-37-49(48)61(54(46)47)50-28-13-15-30-52(50)68-53-31-16-14-29-51(53)61/h1-38H.
What are the key properties of 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 871.02 g/mol, XLogP of 14.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 153297786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).