spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]

C31H20O — CID 155257133

IUPACspiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]
SMILESC1=Cc2oc3cc4c(cc3c2CC1)-c1ccccc1C41c2ccccc2-c2ccccc21
InChIInChI=1S/C31H20O/c1-5-13-25-19(9-1)20-10-2-6-14-26(20)31(25)27-15-7-3-11-21(27)23-17-24-22-12-4-8-16-29(22)32-30(24)18-28(23)31/h1-3,5-11,13-18H,4,12H2
InChIKeySGTCHWXIQFVDKA-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.74
Rot. Bonds

About spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]

spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene] (PubChem CID 155257133) has the molecular formula C31H20O and a molecular weight of 408.50 g/mol. Its IUPAC name is spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene].

Molecular Properties

Compound Namespiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]
PubChem CID155257133
Molecular FormulaC31H20O
Molecular Weight408.50 g/mol
Exact Mass408.15
IUPAC Namespiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]
SMILESC1=Cc2oc3cc4c(cc3c2CC1)-c1ccccc1C41c2ccccc2-c2ccccc21
InChIInChI=1S/C31H20O/c1-5-13-25-19(9-1)20-10-2-6-14-26(20)31(25)27-15-7-3-11-21(27)23-17-24-22-12-4-8-16-29(22)32-30(24)18-28(23)31/h1-3,5-11,13-18H,4,12H2
InChIKeySGTCHWXIQFVDKA-UHFFFAOYSA-N
XLogP7.74
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(8,9-dihydrodibenzofuran-3-yl)-2-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 155442470
N-[4-(8,9-dihydrodibenzofuran-1-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 142481157
N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-3-phenylaniline
CID 156826935
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]
CID 166096305
N-(9,9-dimethylfluoren-3-yl)-N-[4-[9-phenyl-6-(9-phenylfluoren-9-yl)carbazol-3-yl]phenyl]-8,9-dihydrodibenzofuran-3-amine
CID 167214760
CID 129023259
CID 129023259
2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 170413917
9-[10-(8,9-dihydrodibenzofuran-4-yl)phenanthren-9-yl]fluoren-9-ol
CID 163459929
9-(4-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-ylphenyl)carbazole
CID 153483764
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483754
2-bromo-4-(8,9-dihydrodibenzofuran-3-yl)dibenzofuran
CID 170051931

Frequently Asked Questions

What is the IUPAC name of spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]?
The IUPAC name of spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene] (CID 155257133) is spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene].
What is the SMILES notation for spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]?
The canonical SMILES for spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene] is C1=Cc2oc3cc4c(cc3c2CC1)-c1ccccc1C41c2ccccc2-c2ccccc21.
What is the InChIKey of spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]?
The InChIKey is SGTCHWXIQFVDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20O/c1-5-13-25-19(9-1)20-10-2-6-14-26(20)31(25)27-15-7-3-11-21(27)23-17-24-22-12-4-8-16-29(22)32-30(24)18-28(23)31/h1-3,5-11,13-18H,4,12H2.
What are the key properties of spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene]?
spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene] has a molecular weight of 408.50 g/mol, XLogP of 7.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,2-dihydrofluoreno[2,3-b][1]benzofuran-7,9'-fluorene] is sourced from PubChem (CID 155257133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).