4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran

C51H30O — CID 164758516

IUPAC4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)cc21
InChIInChI=1S/C51H30O/c1-3-20-39-37(18-1)48(38-19-2-4-21-40(38)49(39)42-23-13-22-41-36-17-8-12-27-47(36)52-50(41)42)31-28-29-35-34-16-7-11-26-45(34)51(46(35)30-31)43-24-9-5-14-32(43)33-15-6-10-25-44(33)51/h1-30H
InChIKeyCPYJZYDOVLFJMN-UHFFFAOYSA-N
MW658.80 g/mol
LogP13.57
Rot. Bonds2

About 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran

4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran (PubChem CID 164758516) has the molecular formula C51H30O and a molecular weight of 658.80 g/mol. Its IUPAC name is 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
PubChem CID164758516
Molecular FormulaC51H30O
Molecular Weight658.80 g/mol
Exact Mass658.23
IUPAC Name4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)cc21
InChIInChI=1S/C51H30O/c1-3-20-39-37(18-1)48(38-19-2-4-21-40(38)49(39)42-23-13-22-41-36-17-8-12-27-47(36)52-50(41)42)31-28-29-35-34-16-7-11-26-45(34)51(46(35)30-31)43-24-9-5-14-32(43)33-15-6-10-25-44(33)51/h1-30H
InChIKeyCPYJZYDOVLFJMN-UHFFFAOYSA-N
XLogP13.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.80
LogP ≤ 513.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 134487888
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
4-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenanthren-9-yl]phenyl]dibenzofuran
CID 87688527
4-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]dibenzofuran
CID 59195065
3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
4-(7-dibenzofuran-4-yl-9,9-diphenylfluoren-2-yl)dibenzofuran
CID 135131477
4-[8-dibenzofuran-4-yl-10-(9,9'-spirobi[fluorene]-1-yl)anthracen-1-yl]dibenzofuran
CID 155333956
4-(2'-dibenzothiophen-4-yl-9,9'-spirobi[fluorene]-2-yl)dibenzofuran
CID 59133493
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 67888522
(4-dibenzofuran-4-ylphenyl)-(9,9'-spirobi[fluorene]-2-yl)methanone
CID 59133482
4-dibenzofuran-4-yl-2-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylpyrimidine
CID 146969373
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489

Frequently Asked Questions

What is the IUPAC name of 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran (CID 164758516) is 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5c4oc4ccccc45)c4ccccc34)cc21.
What is the InChIKey of 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is CPYJZYDOVLFJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30O/c1-3-20-39-37(18-1)48(38-19-2-4-21-40(38)49(39)42-23-13-22-41-36-17-8-12-27-47(36)52-50(41)42)31-28-29-35-34-16-7-11-26-45(34)51(46(35)30-31)43-24-9-5-14-32(43)33-15-6-10-25-44(33)51/h1-30H.
What are the key properties of 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran?
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran has a molecular weight of 658.80 g/mol, XLogP of 13.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 164758516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).