2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine

C58H41N3O — CID 130379921

IUPAC2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine
SMILESC1=CCC2C(=C1)Oc1cc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)ccc1C21C2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C58H41N3O/c1-3-15-38(16-4-1)42-19-13-21-45(35-42)56-59-55(60-57(61-56)46-22-14-20-43(36-46)39-17-5-2-6-18-39)41-31-29-40(30-32-41)44-33-34-52-54(37-44)62-53-28-12-11-27-51(53)58(52)49-25-9-7-23-47(49)48-24-8-10-26-50(48)58/h1-7,9-23,25-26,28-37,51H,8,24,27H2
InChIKeyZEGLCNMMNAYQCQ-UHFFFAOYSA-N
MW795.99 g/mol
LogP14.13
Rot. Bonds6

About 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine

2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine (PubChem CID 130379921) has the molecular formula C58H41N3O and a molecular weight of 795.99 g/mol. Its IUPAC name is 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine
PubChem CID130379921
Molecular FormulaC58H41N3O
Molecular Weight795.99 g/mol
Exact Mass795.32
IUPAC Name2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine
SMILESC1=CCC2C(=C1)Oc1cc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)ccc1C21C2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C58H41N3O/c1-3-15-38(16-4-1)42-19-13-21-45(35-42)56-59-55(60-57(61-56)46-22-14-20-43(36-46)39-17-5-2-6-18-39)41-31-29-40(30-32-41)44-33-34-52-54(37-44)62-53-28-12-11-27-51(53)58(52)49-25-9-7-23-47(49)48-24-8-10-26-50(48)58/h1-7,9-23,25-26,28-37,51H,8,24,27H2
InChIKeyZEGLCNMMNAYQCQ-UHFFFAOYSA-N
XLogP14.13
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.99
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyclohexa-1,3-dien-1-ylphenyl)-6-(3-phenylphenyl)-2-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137391754
9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole
CID 118860674
2,4-diphenyl-6-spiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 137388685
2-[3-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-5-(9,9-dimethylfluoren-3-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 145377613
4-(4-cyclohexa-2,4-dien-1-ylnaphthalen-1-yl)-6-phenyl-2-(2-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)pyrimidine
CID 130379515
2,4-diphenyl-6-(3-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 137389233
4-phenyl-6-(6-phenylcyclohexa-1,3-dien-1-yl)-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidine
CID 155443087
2-cyclohexa-1,3-dien-1-yl-4-(11-methyl-11,11a-dihydronaphtho[2,3-b][1]benzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 154955419
2,4-diphenyl-6-[3-(2-spiro[5,10a-dihydroxanthene-9,9'-fluorene]-2-ylphenyl)phenyl]-1,3,5-triazine
CID 146321854
2-(9,9-diphenylxanthen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146388734
CID 158278496
CID 158278496
CID 139521142
CID 139521142

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine (CID 130379921) is 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine is C1=CCC2C(=C1)Oc1cc(-c3ccc(-c4nc(-c5cccc(-c6ccccc6)c5)nc(-c5cccc(-c6ccccc6)c5)n4)cc3)ccc1C21C2=C(CCC=C2)c2ccccc21.
What is the InChIKey of 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine?
The InChIKey is ZEGLCNMMNAYQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N3O/c1-3-15-38(16-4-1)42-19-13-21-45(35-42)56-59-55(60-57(61-56)46-22-14-20-43(36-46)39-17-5-2-6-18-39)41-31-29-40(30-32-41)44-33-34-52-54(37-44)62-53-28-12-11-27-51(53)58(52)49-25-9-7-23-47(49)48-24-8-10-26-50(48)58/h1-7,9-23,25-26,28-37,51H,8,24,27H2.
What are the key properties of 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine?
2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine has a molecular weight of 795.99 g/mol, XLogP of 14.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130379921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).