1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran

C38H24O — CID 146397549

IUPAC1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
SMILESCc1cccc2c1-c1ccc(-c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C38H24O/c1-23-10-8-17-32-36(23)28-21-20-24(25-14-9-19-35-37(25)29-13-4-7-18-34(29)39-35)22-33(28)38(32)30-15-5-2-11-26(30)27-12-3-6-16-31(27)38/h2-22H,1H3
InChIKeyJYWLQDANFZIASM-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.90
Rot. Bonds1

About 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran

1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran (PubChem CID 146397549) has the molecular formula C38H24O and a molecular weight of 496.61 g/mol. Its IUPAC name is 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran.

Molecular Properties

Compound Name1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
PubChem CID146397549
Molecular FormulaC38H24O
Molecular Weight496.61 g/mol
Exact Mass496.18
IUPAC Name1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
SMILESCc1cccc2c1-c1ccc(-c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C38H24O/c1-23-10-8-17-32-36(23)28-21-20-24(25-14-9-19-35-37(25)29-13-4-7-18-34(29)39-35)22-33(28)38(32)30-15-5-2-11-26(30)27-12-3-6-16-31(27)38/h2-22H,1H3
InChIKeyJYWLQDANFZIASM-UHFFFAOYSA-N
XLogP9.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-[2-(9,9-dimethylfluoren-4-yl)ethyl]phenyl]-9,9'-spirobi[fluorene];1-methyldibenzofuran
CID 145360792
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
1-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]dibenzofuran
CID 142417716
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477512
4'-methyl-9,9'-spirobi[fluorene]
CID 91359179
2,4-diphenyl-6-spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134573663
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
2-methyl-9,9'-spirobi[fluorene];bis(4'-methyl-9,9'-spirobi[fluorene])
CID 158761183
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
1-[8-dibenzofuran-1-yl-10-(9,9-diphenylfluoren-2-yl)anthracen-1-yl]dibenzofuran
CID 155333308

Frequently Asked Questions

What is the IUPAC name of 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran?
The IUPAC name of 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran (CID 146397549) is 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran.
What is the SMILES notation for 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran?
The canonical SMILES for 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran is Cc1cccc2c1-c1ccc(-c3cccc4oc5ccccc5c34)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran?
The InChIKey is JYWLQDANFZIASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O/c1-23-10-8-17-32-36(23)28-21-20-24(25-14-9-19-35-37(25)29-13-4-7-18-34(29)39-35)22-33(28)38(32)30-15-5-2-11-26(30)27-12-3-6-16-31(27)38/h2-22H,1H3.
What are the key properties of 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran?
1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran has a molecular weight of 496.61 g/mol, XLogP of 9.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran is sourced from PubChem (CID 146397549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).