3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]

C49H30O2 — CID 177297747

IUPAC3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H30O2/c1-2-15-33(34-16-3-4-17-35(34)38-21-13-27-46-48(38)39-20-7-11-25-44(39)50-46)32(14-1)31-28-29-43-47(30-31)51-45-26-12-10-24-42(45)49(43)40-22-8-5-18-36(40)37-19-6-9-23-41(37)49/h1-30H
InChIKeyNIRZHEPBZPJXMT-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.06
Rot. Bonds3

About 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]

3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene] (PubChem CID 177297747) has the molecular formula C49H30O2 and a molecular weight of 650.78 g/mol. Its IUPAC name is 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
PubChem CID177297747
Molecular FormulaC49H30O2
Molecular Weight650.78 g/mol
Exact Mass650.22
IUPAC Name3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H30O2/c1-2-15-33(34-16-3-4-17-35(34)38-21-13-27-46-48(38)39-20-7-11-25-44(39)50-46)32(14-1)31-28-29-43-47(30-31)51-45-26-12-10-24-42(45)49(43)40-22-8-5-18-36(40)37-19-6-9-23-41(37)49/h1-30H
InChIKeyNIRZHEPBZPJXMT-UHFFFAOYSA-N
XLogP13.06
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297795
1-[2-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177297871
3-(7-dibenzofuran-1-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177298639
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476993
2-dibenzofuran-1-yl-4-phenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 166738010
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477512
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
3-(7-chlorodibenzofuran-1-yl)-9,9-dimethylxanthene
CID 165382152
1-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 177299030
CID 174144701
CID 174144701
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662

Frequently Asked Questions

What is the IUPAC name of 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene] (CID 177297747) is 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene] is c1ccc2c(c1)Oc1cc(-c3ccccc3-c3ccccc3-c3cccc4oc5ccccc5c34)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is NIRZHEPBZPJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30O2/c1-2-15-33(34-16-3-4-17-35(34)38-21-13-27-46-48(38)39-20-7-11-25-44(39)50-46)32(14-1)31-28-29-43-47(30-31)51-45-26-12-10-24-42(45)49(43)40-22-8-5-18-36(40)37-19-6-9-23-41(37)49/h1-30H.
What are the key properties of 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 650.78 g/mol, XLogP of 13.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[2-(2-dibenzofuran-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 177297747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).