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

C38H24O — CID 146397383

IUPAC2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C38H24O/c1-23-14-17-28-26-8-2-5-11-32(26)38(34(28)20-23)33-12-6-3-9-27(33)29-18-15-25(22-35(29)38)24-16-19-37-31(21-24)30-10-4-7-13-36(30)39-37/h2-22H,1H3
InChIKeyLHMVUQHKOIBYPK-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.90
Rot. Bonds1

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

2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran (PubChem CID 146397383) has the molecular formula C38H24O and a molecular weight of 496.61 g/mol. Its IUPAC name is 2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran.

Molecular Properties

Compound Name2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
PubChem CID146397383
Molecular FormulaC38H24O
Molecular Weight496.61 g/mol
Exact Mass496.18
IUPAC Name2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
SMILESCc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C38H24O/c1-23-14-17-28-26-8-2-5-11-32(26)38(34(28)20-23)33-12-6-3-9-27(33)29-18-15-25(22-35(29)38)24-16-19-37-31(21-24)30-10-4-7-13-36(30)39-37/h2-22H,1H3
InChIKeyLHMVUQHKOIBYPK-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-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
2-[2',3'-bis(ethenyl)spiro[fluorene-9,1'-indene]-2-yl]dibenzofuran
CID 142417659
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]triphenylen-2-amine
CID 130308913
3-(6-dibenzofuran-2-yl-9,9'-spirobi[fluorene]-3-yl)-9-(4-methylphenyl)carbazole
CID 121400315
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
2,7-dimethylspiro[fluorene-9,12'-fluoreno[1,2-b][1]benzofuran]
CID 122627056
2-(3-methylphenyl)-4-phenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-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 134573599
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 146247470
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
4-dibenzofuran-2-yl-12-(9,9'-spirobi[fluorene]-2-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
CID 170034325
2,2',7'-trimethyl-9,9'-spirobi[fluorene]
CID 20807057

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran?
The IUPAC name of 2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran (CID 146397383) is 2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran.
What is the SMILES notation for 2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran?
The canonical SMILES for 2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran is Cc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(-c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of 2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran?
The InChIKey is LHMVUQHKOIBYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24O/c1-23-14-17-28-26-8-2-5-11-32(26)38(34(28)20-23)33-12-6-3-9-27(33)29-18-15-25(22-35(29)38)24-16-19-37-31(21-24)30-10-4-7-13-36(30)39-37/h2-22H,1H3.
What are the key properties of 2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran?
2-(2-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 2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran is sourced from PubChem (CID 146397383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).