1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran

C40H26O — CID 156734864

IUPAC1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
SMILESC=C(C)c1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3c12
InChIInChI=1S/C40H26O/c1-24(2)26-14-10-20-37-39(26)31-23-25(21-22-36(31)41-37)27-15-9-19-35-38(27)30-13-5-8-18-34(30)40(35)32-16-6-3-11-28(32)29-12-4-7-17-33(29)40/h3-23H,1H2,2H3
InChIKeySSPASOIDHOKZDK-UHFFFAOYSA-N
MW522.65 g/mol
LogP10.63
Rot. Bonds2

About 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran

1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran (PubChem CID 156734864) has the molecular formula C40H26O and a molecular weight of 522.65 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran.

Molecular Properties

Compound Name1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
PubChem CID156734864
Molecular FormulaC40H26O
Molecular Weight522.65 g/mol
Exact Mass522.20
IUPAC Name1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
SMILESC=C(C)c1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3c12
InChIInChI=1S/C40H26O/c1-24(2)26-14-10-20-37-39(26)31-23-25(21-22-36(31)41-37)27-15-9-19-35-38(27)30-13-5-8-18-34(30)40(35)32-16-6-3-11-28(32)29-12-4-7-17-33(29)40/h3-23H,1H2,2H3
InChIKeySSPASOIDHOKZDK-UHFFFAOYSA-N
XLogP10.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran
CID 129100189
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734786
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003003
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)carbazole
CID 129291968
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine;hydroiodide
CID 156734683
2-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 167260866
1-methyl-8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran
CID 156734737
1-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397549
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 156734870
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
1-dibenzofuran-1-yl-N-[1-[8-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-yl]ethenyl]ethanimine;2-prop-1-en-2-yldibenzothiophene
CID 156734611
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837

Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
The IUPAC name of 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran (CID 156734864) is 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran.
What is the SMILES notation for 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
The canonical SMILES for 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran is C=C(C)c1cccc2oc3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)cc3c12.
What is the InChIKey of 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
The InChIKey is SSPASOIDHOKZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26O/c1-24(2)26-14-10-20-37-39(26)31-23-25(21-22-36(31)41-37)27-15-9-19-35-38(27)30-13-5-8-18-34(30)40(35)32-16-6-3-11-28(32)29-12-4-7-17-33(29)40/h3-23H,1H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran?
1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran has a molecular weight of 522.65 g/mol, XLogP of 10.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran is sourced from PubChem (CID 156734864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).