4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]

C58H40O2 — CID 123642938

IUPAC4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2ccc(C(CCc3cccc4c3oc3ccccc34)c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C58H40O2/c1-2-15-38(16-3-1)39-31-33-40(34-32-39)44(36-35-41-17-13-24-49-48-22-6-10-29-54(48)59-56(41)49)42-18-12-19-43(37-42)45-23-14-28-53-57(45)60-55-30-11-9-27-52(55)58(53)50-25-7-4-20-46(50)47-21-5-8-26-51(47)58/h1-34,37,44H,35-36H2
InChIKeyWAVZHFHBDWLRCX-UHFFFAOYSA-N
MW768.96 g/mol
LogP15.15
Rot. Bonds7

About 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]

4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene] (PubChem CID 123642938) has the molecular formula C58H40O2 and a molecular weight of 768.96 g/mol. Its IUPAC name is 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]
PubChem CID123642938
Molecular FormulaC58H40O2
Molecular Weight768.96 g/mol
Exact Mass768.30
IUPAC Name4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]
SMILESc1ccc(-c2ccc(C(CCc3cccc4c3oc3ccccc34)c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1
InChIInChI=1S/C58H40O2/c1-2-15-38(16-3-1)39-31-33-40(34-32-39)44(36-35-41-17-13-24-49-48-22-6-10-29-54(48)59-56(41)49)42-18-12-19-43(37-42)45-23-14-28-53-57(45)60-55-30-11-9-27-52(55)58(53)50-25-7-4-20-46(50)47-21-5-8-26-51(47)58/h1-34,37,44H,35-36H2
InChIKeyWAVZHFHBDWLRCX-UHFFFAOYSA-N
XLogP15.15
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dimethyl-4-[4-(3-naphthalen-1-yl-1-phenylpropyl)phenyl]xanthene
CID 144578215
3'-[2-(2-dibenzofuran-4-ylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 177297795
4-dibenzofuran-4-yl-6-(2,4-diphenylphenyl)-2-spiro[fluorene-9,9'-xanthene]-4'-ylpyrimidine
CID 167348949
2-(4-dibenzofuran-4-ylphenyl)-6-phenyl-4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,4-dihydro-1,3,5-triazine
CID 146321898
11',17'-dibromospiro[[1]benzofuro[3,2-c]xanthene-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]
CID 134571716
N-naphtho[1,2-b][1]benzofuran-1-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 167277352
N-dibenzofuran-4-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 169305044
4-[3-[3-[bis[4-(4-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59137078
3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione
CID 156568592
4-[4-[1-(4-naphthalen-1-ylphenyl)-2-(9,9'-spirobi[fluorene]-1'-yl)ethyl]phenyl]dibenzofuran
CID 166825044
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-(2-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)-1,3,5-triazine
CID 140947298
2-phenyl-4-[6-[4-[4-(4-phenylnaphthalen-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-3-yl]-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 166710660

Frequently Asked Questions

What is the IUPAC name of 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene] (CID 123642938) is 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene] is c1ccc(-c2ccc(C(CCc3cccc4c3oc3ccccc34)c3cccc(-c4cccc5c4Oc4ccccc4C54c5ccccc5-c5ccccc54)c3)cc2)cc1.
What is the InChIKey of 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]?
The InChIKey is WAVZHFHBDWLRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H40O2/c1-2-15-38(16-3-1)39-31-33-40(34-32-39)44(36-35-41-17-13-24-49-48-22-6-10-29-54(48)59-56(41)49)42-18-12-19-43(37-42)45-23-14-28-53-57(45)60-55-30-11-9-27-52(55)58(53)50-25-7-4-20-46(50)47-21-5-8-26-51(47)58/h1-34,37,44H,35-36H2.
What are the key properties of 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene]?
4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene] has a molecular weight of 768.96 g/mol, XLogP of 15.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-[3-[3-dibenzofuran-4-yl-1-(4-phenylphenyl)propyl]phenyl]spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 123642938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).