N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

C68H41NO3 — CID 138475955

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C68H41NO3/c1-4-21-53-47(16-1)49-38-36-44(40-59(49)67(53)55-23-6-11-28-62(55)70-63-29-12-7-24-56(63)67)69(43-34-32-42(33-35-43)46-19-15-20-52-51-18-3-10-27-61(51)72-66(46)52)45-37-39-50-48-17-2-5-22-54(48)68(60(50)41-45)57-25-8-13-30-64(57)71-65-31-14-9-26-58(65)68/h1-41H
InChIKeyFEYRJWLGFNWFHX-UHFFFAOYSA-N
MW920.08 g/mol
LogP17.66
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138475955) has the molecular formula C68H41NO3 and a molecular weight of 920.08 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138475955
Molecular FormulaC68H41NO3
Molecular Weight920.08 g/mol
Exact Mass919.31
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C68H41NO3/c1-4-21-53-47(16-1)49-38-36-44(40-59(49)67(53)55-23-6-11-28-62(55)70-63-29-12-7-24-56(63)67)69(43-34-32-42(33-35-43)46-19-15-20-52-51-18-3-10-27-61(51)72-66(46)52)45-37-39-50-48-17-2-5-22-54(48)68(60(50)41-45)57-25-8-13-30-64(57)71-65-31-14-9-26-58(65)68/h1-41H
InChIKeyFEYRJWLGFNWFHX-UHFFFAOYSA-N
XLogP17.66
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.08
LogP ≤ 517.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
CID 138477714
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
N-dibenzofuran-4-yl-N-(4-dibenzofuran-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176643
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298418
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-2-amine
CID 129087109
N-(4-dibenzofuran-4-ylphenyl)-N-phenanthren-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 137392478
N-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
N-[4-(2-dibenzofuran-4-yl-5-phenylphenyl)phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 167484367
N-([1]benzofuro[3,2-b][1]benzofuran-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 163417846
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168805215
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 138475955) is N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is FEYRJWLGFNWFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41NO3/c1-4-21-53-47(16-1)49-38-36-44(40-59(49)67(53)55-23-6-11-28-62(55)70-63-29-12-7-24-56(63)67)69(43-34-32-42(33-35-43)46-19-15-20-52-51-18-3-10-27-61(51)72-66(46)52)45-37-39-50-48-17-2-5-22-54(48)68(60(50)41-45)57-25-8-13-30-64(57)71-65-31-14-9-26-58(65)68/h1-41H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 920.08 g/mol, XLogP of 17.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138475955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).