2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine

C52H37N3O2 — CID 155443179

IUPAC2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4c(C5C=CC(c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)CC5)cccc43)C2C=C1
InChIInChI=1S/C52H37N3O2/c1-2-13-33(14-3-1)49-53-50(55-51(54-49)35-29-30-40-39-17-6-10-23-45(39)56-47(40)31-35)34-27-25-32(26-28-34)36-18-12-22-44-48(36)57-46-24-11-9-21-43(46)52(44)41-19-7-4-15-37(41)38-16-5-8-20-42(38)52/h1-25,27,29-32,34,37,41H,26,28H2
InChIKeyYQYJHQVWYKNAMT-UHFFFAOYSA-N
MW735.89 g/mol
LogP12.60
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine

2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine (PubChem CID 155443179) has the molecular formula C52H37N3O2 and a molecular weight of 735.89 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine
PubChem CID155443179
Molecular FormulaC52H37N3O2
Molecular Weight735.89 g/mol
Exact Mass735.29
IUPAC Name2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine
SMILESC1=CC2c3ccccc3C3(c4ccccc4Oc4c(C5C=CC(c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)CC5)cccc43)C2C=C1
InChIInChI=1S/C52H37N3O2/c1-2-13-33(14-3-1)49-53-50(55-51(54-49)35-29-30-40-39-17-6-10-23-45(39)56-47(40)31-35)34-27-25-32(26-28-34)36-18-12-22-44-48(36)57-46-24-11-9-21-43(46)52(44)41-19-7-4-15-37(41)38-16-5-8-20-42(38)52/h1-25,27,29-32,34,37,41H,26,28H2
InChIKeyYQYJHQVWYKNAMT-UHFFFAOYSA-N
XLogP12.60
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-dibenzofuran-3-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 155442926
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155443037
2,4-diphenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 155442764
2,4-diphenyl-6-(7-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-2'-yldibenzofuran-3-yl)-1,3,5-triazine
CID 166953099
2-phenanthren-2-yl-4-phenyl-6-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 155442762
4,6-diphenyl-2-[4-(2-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 155442583
4-phenanthren-2-yl-6-phenyl-2-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155442773
4-phenanthren-2-yl-6-phenyl-2-(3-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylphenyl)pyrimidine
CID 155443455
4,6-diphenyl-2-(5-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylthiophen-2-yl)pyrimidine
CID 155442435
2-phenyl-4-pyridin-2-yl-6-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-2'-ylpyrimidine
CID 155443428
2,4-diphenyl-6-(3-spiro[4b,8a-dihydrofluorene-9,9'-xanthene]-4-ylphenyl)-1,3,5-triazine
CID 174292900
4-[6'-(4,6-diphenylpyrimidin-2-yl)spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-3'-yl]naphthalene-1-carbonitrile
CID 163748208

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine (CID 155443179) is 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine is C1=CC2c3ccccc3C3(c4ccccc4Oc4c(C5C=CC(c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)CC5)cccc43)C2C=C1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine?
The InChIKey is YQYJHQVWYKNAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3O2/c1-2-13-33(14-3-1)49-53-50(55-51(54-49)35-29-30-40-39-17-6-10-23-45(39)56-47(40)31-35)34-27-25-32(26-28-34)36-18-12-22-44-48(36)57-46-24-11-9-21-43(46)52(44)41-19-7-4-15-37(41)38-16-5-8-20-42(38)52/h1-25,27,29-32,34,37,41H,26,28H2.
What are the key properties of 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine?
2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine has a molecular weight of 735.89 g/mol, XLogP of 12.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-phenyl-6-(4-spiro[4a,9a-dihydrofluorene-9,9'-xanthene]-4'-ylcyclohex-2-en-1-yl)-1,3,5-triazine is sourced from PubChem (CID 155443179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).