2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine

C52H37N3O — CID 155442837

IUPAC2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
SMILESC1=CC2=C(CC1)C1(C3=C(Oc4ccccc41)C(c1ccccc1-c1ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc1)CC=C3)c1ccccc12
InChIInChI=1S/C52H37N3O/c1-3-16-35(17-4-1)49-53-50(36-18-5-2-6-19-36)55-51(54-49)37-32-30-34(31-33-37)38-20-7-8-21-39(38)42-24-15-28-46-48(42)56-47-29-14-13-27-45(47)52(46)43-25-11-9-22-40(43)41-23-10-12-26-44(41)52/h1-11,13-23,25,27-33,42H,12,24,26H2
InChIKeyXHOOCPFWMDYZEL-UHFFFAOYSA-N
MW719.89 g/mol
LogP12.33
Rot. Bonds5

About 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 155442837) has the molecular formula C52H37N3O and a molecular weight of 719.89 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID155442837
Molecular FormulaC52H37N3O
Molecular Weight719.89 g/mol
Exact Mass719.29
IUPAC Name2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
SMILESC1=CC2=C(CC1)C1(C3=C(Oc4ccccc41)C(c1ccccc1-c1ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc1)CC=C3)c1ccccc12
InChIInChI=1S/C52H37N3O/c1-3-16-35(17-4-1)49-53-50(36-18-5-2-6-19-36)55-51(54-49)37-32-30-34(31-33-37)38-20-7-8-21-39(38)42-24-15-28-46-48(42)56-47-29-14-13-27-45(47)52(46)43-25-11-9-22-40(43)41-23-10-12-26-44(41)52/h1-11,13-23,25,27-33,42H,12,24,26H2
InChIKeyXHOOCPFWMDYZEL-UHFFFAOYSA-N
XLogP12.33
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
4-naphthalen-1-yl-6-phenyl-2-(4-spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442616
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
4-naphthalen-2-yl-2-phenyl-6-[3-[7-[2-[2-(4-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-4'-yl]phenyl]pyrimidine
CID 155442879
2-dibenzofuran-1-yl-4-phenyl-6-(8-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-1-yl)-1,3,5-triazine
CID 174284587
2-phenyl-4-(2-phenylphenyl)-6-[2-[4-[3-[4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylcyclohexa-1,5-dien-1-yl)-1,3,5-triazin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-1,3,5-triazine
CID 148614560
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-1'-ylphenyl)-1,3,5-triazine
CID 130379537
4-dibenzothiophen-3-yl-6-phenyl-2-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443161
2-[4-[4-[1-methyl-7'-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]phenyl]-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442466
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 146326888

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine (CID 155442837) is 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine is C1=CC2=C(CC1)C1(C3=C(Oc4ccccc41)C(c1ccccc1-c1ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc1)CC=C3)c1ccccc12.
What is the InChIKey of 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is XHOOCPFWMDYZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3O/c1-3-16-35(17-4-1)49-53-50(36-18-5-2-6-19-36)55-51(54-49)37-32-30-34(31-33-37)38-20-7-8-21-39(38)42-24-15-28-46-48(42)56-47-29-14-13-27-45(47)52(46)43-25-11-9-22-40(43)41-23-10-12-26-44(41)52/h1-11,13-23,25,27-33,42H,12,24,26H2.
What are the key properties of 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 719.89 g/mol, XLogP of 12.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-(2-spiro[1,2-dihydrofluorene-9,9'-3,4-dihydroxanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 155442837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).