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

C51H30O — CID 164758447

IUPAC2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc21
InChIInChI=1S/C51H30O/c1-3-19-40-38(17-1)49(31-26-28-48-42(29-31)37-16-8-12-24-47(37)52-48)39-18-2-4-20-41(39)50(40)32-25-27-36-35-15-7-11-23-45(35)51(46(36)30-32)43-21-9-5-13-33(43)34-14-6-10-22-44(34)51/h1-30H
InChIKeyXESQGGQJBZXBQM-UHFFFAOYSA-N
MW658.80 g/mol
LogP13.57
Rot. Bonds2

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

2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran (PubChem CID 164758447) has the molecular formula C51H30O and a molecular weight of 658.80 g/mol. Its IUPAC name is 2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
PubChem CID164758447
Molecular FormulaC51H30O
Molecular Weight658.80 g/mol
Exact Mass658.23
IUPAC Name2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc21
InChIInChI=1S/C51H30O/c1-3-19-40-38(17-1)49(31-26-28-48-42(29-31)37-16-8-12-24-47(37)52-48)39-18-2-4-20-41(39)50(40)32-25-27-36-35-15-7-11-23-45(35)51(46(36)30-32)43-21-9-5-13-33(43)34-14-6-10-22-44(34)51/h1-30H
InChIKeyXESQGGQJBZXBQM-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

2-(10-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylanthracen-9-yl)dibenzofuran
CID 137493892
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397383
6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 122427406
5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine;5-(10-dibenzofuran-2-ylanthracen-9-yl)-2-(9,9'-spirobi[fluorene]-2-yl)pyridine
CID 162042646
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951
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-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]dibenzofuran
CID 59195828
2-dibenzofuran-2-yl-4-(2-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-yl-1,3,5-triazine
CID 153288049
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
2-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]dibenzofuran
CID 142417659
11-[3-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 155205149

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran (CID 164758447) is 2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)cc21.
What is the InChIKey of 2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran?
The InChIKey is XESQGGQJBZXBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30O/c1-3-19-40-38(17-1)49(31-26-28-48-42(29-31)37-16-8-12-24-47(37)52-48)39-18-2-4-20-41(39)50(40)32-25-27-36-35-15-7-11-23-45(35)51(46(36)30-32)43-21-9-5-13-33(43)34-14-6-10-22-44(34)51/h1-30H.
What are the key properties of 2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran?
2-[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 2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 164758447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).