4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran

C63H36O2 — CID 155333956

IUPAC4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)c21
InChIInChI=1S/C63H36O2/c1-6-31-54-39(16-1)40-17-2-7-32-55(40)63(54)56-33-8-3-18-41(56)46-25-13-30-51(60(46)63)59-44-23-11-21-37(47-26-14-28-49-42-19-4-9-34-57(42)64-61(47)49)52(44)36-53-38(22-12-24-45(53)59)48-27-15-29-50-43-20-5-10-35-58(43)65-62(48)50/h1-36H
InChIKeyAWGUVHHBQHTRNF-UHFFFAOYSA-N
MW824.98 g/mol
LogP17.14
Rot. Bonds3

About 4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran

4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran (PubChem CID 155333956) has the molecular formula C63H36O2 and a molecular weight of 824.98 g/mol. Its IUPAC name is 4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran.

Molecular Properties

Compound Name4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran
PubChem CID155333956
Molecular FormulaC63H36O2
Molecular Weight824.98 g/mol
Exact Mass824.27
IUPAC Name4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)c21
InChIInChI=1S/C63H36O2/c1-6-31-54-39(16-1)40-17-2-7-32-55(40)63(54)56-33-8-3-18-41(56)46-25-13-30-51(60(46)63)59-44-23-11-21-37(47-26-14-28-49-42-19-4-9-34-57(42)64-61(47)49)52(44)36-53-38(22-12-24-45(53)59)48-27-15-29-50-43-20-5-10-35-58(43)65-62(48)50/h1-36H
InChIKeyAWGUVHHBQHTRNF-UHFFFAOYSA-N
XLogP17.14
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.98
LogP ≤ 517.14
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

4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
4-(8-dibenzofuran-4-yl-10-spiro[cyclopentane-1,9'-fluorene]-4'-ylanthracen-1-yl)dibenzofuran
CID 155334479
2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
CID 122627056
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
3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 155333707
2-[8-dibenzofuran-2-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 155333779
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran;1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-3-yl)anthracen-1-yl]dibenzofuran;2-[8-dibenzofuran-2-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran;3-[8-dibenzofuran-3-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran;4-[8-dibenzofuran-4-yl-10-(9,9-diphenylfluoren-1-yl)anthracen-1-yl]dibenzofuran
CID 159633377
4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155333147
2-dibenzofuran-4-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-1-yl)pyrimidine
CID 146648524
4-[4-[10-(1-benzofuran-2-yl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 177094657
1-[8-(9,9-dimethylxanthen-1-yl)-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]-9,9-dimethylxanthene
CID 155333834

Frequently Asked Questions

What is the IUPAC name of 4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran?
The IUPAC name of 4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran (CID 155333956) is 4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran.
What is the SMILES notation for 4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran?
The canonical SMILES for 4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2cccc(-c3c4cccc(-c5cccc6c5oc5ccccc56)c4cc4c(-c5cccc6c5oc5ccccc56)cccc34)c21.
What is the InChIKey of 4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran?
The InChIKey is AWGUVHHBQHTRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H36O2/c1-6-31-54-39(16-1)40-17-2-7-32-55(40)63(54)56-33-8-3-18-41(56)46-25-13-30-51(60(46)63)59-44-23-11-21-37(47-26-14-28-49-42-19-4-9-34-57(42)64-61(47)49)52(44)36-53-38(22-12-24-45(53)59)48-27-15-29-50-43-20-5-10-35-58(43)65-62(48)50/h1-36H.
What are the key properties of 4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran?
4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran has a molecular weight of 824.98 g/mol, XLogP of 17.14, 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-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran is sourced from PubChem (CID 155333956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).