3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]

C49H30O2 — CID 177297795

IUPAC3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-c3ccccc3-c3ccccc3-c3cccc4c3oc3ccccc34)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H30O2/c1-2-15-33(34-16-3-4-17-35(34)39-21-13-22-40-38-20-7-11-26-45(38)51-48(39)40)32(14-1)31-28-29-44-47(30-31)50-46-27-12-10-25-43(46)49(44)41-23-8-5-18-36(41)37-19-6-9-24-42(37)49/h1-30H
InChIKeyBNMPHTOYRLCVHF-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.06
Rot. Bonds3

About 3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]

3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene] (PubChem CID 177297795) has the molecular formula C49H30O2 and a molecular weight of 650.78 g/mol. Its IUPAC name is 3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
PubChem CID177297795
Molecular FormulaC49H30O2
Molecular Weight650.78 g/mol
Exact Mass650.22
IUPAC Name3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc2c(c1)Oc1cc(-c3ccccc3-c3ccccc3-c3cccc4c3oc3ccccc34)ccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C49H30O2/c1-2-15-33(34-16-3-4-17-35(34)39-21-13-22-40-38-20-7-11-26-45(38)51-48(39)40)32(14-1)31-28-29-44-47(30-31)50-46-27-12-10-25-43(46)49(44)41-23-8-5-18-36(41)37-19-6-9-24-42(37)49/h1-30H
InChIKeyBNMPHTOYRLCVHF-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-1-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297747
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazine
CID 167349465
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475955
4-dibenzofuran-4-yl-6-(2-phenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-3-ylpyrimidine
CID 167348999
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
3-(5-dibenzofuran-4-ylthiophen-2-yl)-9,9-diphenylxanthene
CID 177298250
N-naphtho[1,2-b][1]benzofuran-4-yl-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[xanthene]-3-amine
CID 170272549
N-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214
3-(7-chlorodibenzofuran-4-yl)-9,9-dimethylxanthene
CID 156735737
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477714
9-dibenzofuran-4-yl-3-spiro[fluorene-9,9'-xanthene]-3-ylcarbazole
CID 163426204

Frequently Asked Questions

What is the IUPAC name of 3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene] (CID 177297795) is 3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene] is c1ccc2c(c1)Oc1cc(-c3ccccc3-c3ccccc3-c3cccc4c3oc3ccccc34)ccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is BNMPHTOYRLCVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30O2/c1-2-15-33(34-16-3-4-17-35(34)39-21-13-22-40-38-20-7-11-26-45(38)51-48(39)40)32(14-1)31-28-29-44-47(30-31)50-46-27-12-10-25-43(46)49(44)41-23-8-5-18-36(41)37-19-6-9-24-42(37)49/h1-30H.
What are the key properties of 3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]?
3'-[2-(2-dibenzofuran-4-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-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 177297795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).