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

C58H37N3O — CID 154596947

IUPAC2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C58H37N3O/c1-4-14-38(15-5-1)39-24-26-40(27-25-39)41-28-30-42(31-29-41)45-32-34-49-47(36-45)48-37-46(57-60-55(43-16-6-2-7-17-43)59-56(61-57)44-18-8-3-9-19-44)33-35-50(48)58(49)51-20-10-12-22-53(51)62-54-23-13-11-21-52(54)58/h1-37H
InChIKeyVJHYKLAPJNEIAT-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.34
Rot. Bonds6

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

2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine (PubChem CID 154596947) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
PubChem CID154596947
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C58H37N3O/c1-4-14-38(15-5-1)39-24-26-40(27-25-39)41-28-30-42(31-29-41)45-32-34-49-47(36-45)48-37-46(57-60-55(43-16-6-2-7-17-43)59-56(61-57)44-18-8-3-9-19-44)33-35-50(48)58(49)51-20-10-12-22-53(51)62-54-23-13-11-21-52(54)58/h1-37H
InChIKeyVJHYKLAPJNEIAT-UHFFFAOYSA-N
XLogP14.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[4-(6-pyridin-4-ylspiro[fluorene-9,9'-xanthene]-3-yl)phenyl]-1,3,5-triazine
CID 167177935
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-(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-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297722
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
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-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
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
4-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 171405748
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-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

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine (CID 154596947) is 2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)-c4cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc4C54c5ccccc5Oc5ccccc54)cc3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine?
The InChIKey is VJHYKLAPJNEIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-4-14-38(15-5-1)39-24-26-40(27-25-39)41-28-30-42(31-29-41)45-32-34-49-47(36-45)48-37-46(57-60-55(43-16-6-2-7-17-43)59-56(61-57)44-18-8-3-9-19-44)33-35-50(48)58(49)51-20-10-12-22-53(51)62-54-23-13-11-21-52(54)58/h1-37H.
What are the key properties of 2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine?
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine has a molecular weight of 791.95 g/mol, XLogP of 14.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine is sourced from PubChem (CID 154596947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).