1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran

C55H36O2 — CID 155333739

IUPAC1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1cccc(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)c1C21CCCC1
InChIInChI=1S/C55H36O2/c1-4-25-46-35(14-1)40-23-11-24-43(54(40)55(46)30-7-8-31-55)51-38-19-9-17-33(36-21-12-28-49-52(36)41-15-2-5-26-47(41)56-49)44(38)32-45-34(18-10-20-39(45)51)37-22-13-29-50-53(37)42-16-3-6-27-48(42)57-50/h1-6,9-29,32H,7-8,30-31H2
InChIKeyPKWHBTZPLMHTTL-UHFFFAOYSA-N
MW728.89 g/mol
LogP15.63
Rot. Bonds3

About 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran

1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran (PubChem CID 155333739) has the molecular formula C55H36O2 and a molecular weight of 728.89 g/mol. Its IUPAC name is 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran.

Molecular Properties

Compound Name1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran
PubChem CID155333739
Molecular FormulaC55H36O2
Molecular Weight728.89 g/mol
Exact Mass728.27
IUPAC Name1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1cccc(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)c1C21CCCC1
InChIInChI=1S/C55H36O2/c1-4-25-46-35(14-1)40-23-11-24-43(54(40)55(46)30-7-8-31-55)51-38-19-9-17-33(36-21-12-28-49-52(36)41-15-2-5-26-47(41)56-49)44(38)32-45-34(18-10-20-39(45)51)37-22-13-29-50-53(37)42-16-3-6-27-48(42)57-50/h1-6,9-29,32H,7-8,30-31H2
InChIKeyPKWHBTZPLMHTTL-UHFFFAOYSA-N
XLogP15.63
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.89
LogP ≤ 515.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-methyl-4-[8-(9-methylcarbazol-4-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]carbazole
CID 155334824
1-[8-(9,9-dimethylxanthen-1-yl)-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl]-9,9-dimethylxanthene
CID 155333315
4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
CID 155334479
2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
CID 159683427
4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran
CID 155333956
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
CID 155333308
1-(8-dibenzofuran-1-yl-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-4-ylanthracen-1-yl)dibenzofuran
CID 159983200
1-[8-dibenzofuran-1-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-dimethylfluoren-4-yl)anthracen-1-yl]dibenzofuran
CID 159724531
1-[10-(9,9-dimethylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 155334387
1-(8-dibenzofuran-1-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran;2-(8-dibenzofuran-2-yl-10-spiro[benzo[a]fluorene-11,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
CID 162141045
1-[10-(9,9-diphenylfluoren-4-yl)-8-naphtho[2,1-b][1]benzofuran-1-ylanthracen-1-yl]naphtho[2,1-b][1]benzofuran
CID 158916579
2-[8-dibenzofuran-2-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 155333779

Frequently Asked Questions

What is the IUPAC name of 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran?
The IUPAC name of 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran (CID 155333739) is 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran.
What is the SMILES notation for 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran?
The canonical SMILES for 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran is c1ccc2c(c1)-c1cccc(-c3c4cccc(-c5cccc6oc7ccccc7c56)c4cc4c(-c5cccc6oc7ccccc7c56)cccc34)c1C21CCCC1.
What is the InChIKey of 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran?
The InChIKey is PKWHBTZPLMHTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O2/c1-4-25-46-35(14-1)40-23-11-24-43(54(40)55(46)30-7-8-31-55)51-38-19-9-17-33(36-21-12-28-49-52(36)41-15-2-5-26-47(41)56-49)44(38)32-45-34(18-10-20-39(45)51)37-22-13-29-50-53(37)42-16-3-6-27-48(42)57-50/h1-6,9-29,32H,7-8,30-31H2.
What are the key properties of 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran?
1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran has a molecular weight of 728.89 g/mol, XLogP of 15.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran is sourced from PubChem (CID 155333739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).