4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran

C55H36O2 — CID 155334479

IUPAC4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)cccc1C21CCCC1
InChIInChI=1S/C55H36O2/c1-4-26-47-43(16-1)52-44(25-13-27-48(52)55(47)30-7-8-31-55)51-37-19-9-17-33(39-21-11-23-41-35-14-2-5-28-49(35)56-53(39)41)45(37)32-46-34(18-10-20-38(46)51)40-22-12-24-42-36-15-3-6-29-50(36)57-54(40)42/h1-6,9-29,32H,7-8,30-31H2
InChIKeyRIUFCYOMBFDNHR-UHFFFAOYSA-N
MW728.89 g/mol
LogP15.63
Rot. Bonds3

About 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran

4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran (PubChem CID 155334479) has the molecular formula C55H36O2 and a molecular weight of 728.89 g/mol. Its IUPAC name is 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran.

Molecular Properties

Compound Name4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
PubChem CID155334479
Molecular FormulaC55H36O2
Molecular Weight728.89 g/mol
Exact Mass728.27
IUPAC Name4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)cccc1C21CCCC1
InChIInChI=1S/C55H36O2/c1-4-26-47-43(16-1)52-44(25-13-27-48(52)55(47)30-7-8-31-55)51-37-19-9-17-33(39-21-11-23-41-35-14-2-5-28-49(35)56-53(39)41)45(37)32-46-34(18-10-20-38(46)51)40-22-12-24-42-36-15-3-6-29-50(36)57-54(40)42/h1-6,9-29,32H,7-8,30-31H2
InChIKeyRIUFCYOMBFDNHR-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

2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143525
2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 174300084
4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran
CID 155333956
1-(8-dibenzofuran-1-yl-10-spiro[cyclopentane-1,9'-fluorene]-1'-ylanthracen-1-yl)dibenzofuran
CID 155333739
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 170114783
4-[8-dibenzofuran-4-yl-10-(4,5-diphenylanthracen-9-yl)anthracen-1-yl]dibenzofuran
CID 155334912
4-(4-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 88910037
2,4-di(dibenzofuran-1-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143524
2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-4-yl)pyrimidine
CID 159421196
2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 159889956
4-[8-dibenzofuran-4-yl-10-(1-phenylnaphthalen-2-yl)anthracen-1-yl]dibenzofuran
CID 155334125
4-[10-(9,9-dimethylfluoren-4-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195028

Frequently Asked Questions

What is the IUPAC name of 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran?
The IUPAC name of 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran (CID 155334479) is 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran.
What is the SMILES notation for 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran?
The canonical SMILES for 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran is c1ccc2c(c1)-c1c(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)cccc1C21CCCC1.
What is the InChIKey of 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran?
The InChIKey is RIUFCYOMBFDNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36O2/c1-4-26-47-43(16-1)52-44(25-13-27-48(52)55(47)30-7-8-31-55)51-37-19-9-17-33(39-21-11-23-41-35-14-2-5-28-49(35)56-53(39)41)45(37)32-46-34(18-10-20-38(46)51)40-22-12-24-42-36-15-3-6-29-50(36)57-54(40)42/h1-6,9-29,32H,7-8,30-31H2.
What are the key properties of 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran?
4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-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 4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran is sourced from PubChem (CID 155334479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).