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

C37H22O — CID 102308161

IUPAC4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C37H22O/c1-5-16-31-25(10-1)26-11-2-6-17-32(26)37(31)33-18-7-3-12-27(33)28-21-20-23(22-34(28)37)24-14-9-15-30-29-13-4-8-19-35(29)38-36(24)30/h1-22H
InChIKeySKPPBXPNLAQJNE-UHFFFAOYSA-N
MW482.58 g/mol
LogP9.60
Rot. Bonds1

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

4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran (PubChem CID 102308161) has the molecular formula C37H22O and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran.

Molecular Properties

Compound Name4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran
PubChem CID102308161
Molecular FormulaC37H22O
Molecular Weight482.58 g/mol
Exact Mass482.17
IUPAC Name4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C37H22O/c1-5-16-31-25(10-1)26-11-2-6-17-32(26)37(31)33-18-7-3-12-27(33)28-21-20-23(22-34(28)37)24-14-9-15-30-29-13-4-8-19-35(29)38-36(24)30/h1-22H
InChIKeySKPPBXPNLAQJNE-UHFFFAOYSA-N
XLogP9.60
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran?
The IUPAC name of 4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran (CID 102308161) is 4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran.
What is the SMILES notation for 4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran?
The canonical SMILES for 4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccc(-c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of 4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran?
The InChIKey is SKPPBXPNLAQJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22O/c1-5-16-31-25(10-1)26-11-2-6-17-32(26)37(31)33-18-7-3-12-27(33)28-21-20-23(22-34(28)37)24-14-9-15-30-29-13-4-8-19-35(29)38-36(24)30/h1-22H.
What are the key properties of 4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran?
4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran has a molecular weight of 482.58 g/mol, XLogP of 9.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran is sourced from PubChem (CID 102308161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).