2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine

C53H35N3O2 — CID 163543309

IUPAC2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine
SMILESCC1C=CC2=C(C1)c1ccccc1C21c2ccccc2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)cc21
InChIInChI=1S/C53H35N3O2/c1-32-22-28-43-41(30-32)38-14-5-7-18-42(38)53(43)44-19-8-10-21-47(44)57-48-29-27-36(31-45(48)53)52-55-50(34-12-3-2-4-13-34)54-51(56-52)35-25-23-33(24-26-35)37-16-11-17-40-39-15-6-9-20-46(39)58-49(37)40/h2-29,31-32H,30H2,1H3
InChIKeyFCYBHLQUZIIJJT-UHFFFAOYSA-N
MW745.88 g/mol
LogP13.24
Rot. Bonds4

About 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine

2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine (PubChem CID 163543309) has the molecular formula C53H35N3O2 and a molecular weight of 745.88 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine
PubChem CID163543309
Molecular FormulaC53H35N3O2
Molecular Weight745.88 g/mol
Exact Mass745.27
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine
SMILESCC1C=CC2=C(C1)c1ccccc1C21c2ccccc2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)cc21
InChIInChI=1S/C53H35N3O2/c1-32-22-28-43-41(30-32)38-14-5-7-18-42(38)53(43)44-19-8-10-21-47(44)57-48-29-27-36(31-45(48)53)52-55-50(34-12-3-2-4-13-34)54-51(56-52)35-25-23-33(24-26-35)37-16-11-17-40-39-15-6-9-20-46(39)58-49(37)40/h2-29,31-32H,30H2,1H3
InChIKeyFCYBHLQUZIIJJT-UHFFFAOYSA-N
XLogP13.24
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.88
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-[3-[4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-4'-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 130379025
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
CID 167349465
2-dibenzofuran-4-yl-4-[7-(9,9-dimethylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-6-phenyl-1,3,5-triazine
CID 154597002
2-dibenzofuran-1-yl-4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 166738010
4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine
CID 167348999
2-dibenzofuran-4-yl-4-(7-naphthalen-1-ylspiro[fluorene-9,9'-xanthene]-4-yl)-6-phenyl-1,3,5-triazine
CID 154597028
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-spiro[adamantane-2,9'-xanthene]-3'-yl-1,3,5-triazine
CID 166017896
4-(4-dibenzofuran-4-ylphenyl)-2-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-3'-yl)phenyl]-6-phenylpyrimidine
CID 167178156
2-dibenzofuran-4-yl-4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 139303929
2-(4-dibenzofuran-4-ylphenyl)-4-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 138575396

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine (CID 163543309) is 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine is CC1C=CC2=C(C1)c1ccccc1C21c2ccccc2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)n3)cc21.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is FCYBHLQUZIIJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N3O2/c1-32-22-28-43-41(30-32)38-14-5-7-18-42(38)53(43)44-19-8-10-21-47(44)57-48-29-27-36(31-45(48)53)52-55-50(34-12-3-2-4-13-34)54-51(56-52)35-25-23-33(24-26-35)37-16-11-17-40-39-15-6-9-20-46(39)58-49(37)40/h2-29,31-32H,30H2,1H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine?
2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 745.88 g/mol, XLogP of 13.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-4-(3-methylspiro[3,4-dihydrofluorene-9,9'-xanthene]-2'-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163543309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).