N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine

C68H41NO3 — CID 138477714

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C68H41NO3/c1-4-23-52-46(17-1)48-40-39-44(41-58(48)67(52)54-25-6-11-31-61(54)70-62-32-12-7-26-55(62)67)69(43-37-35-42(36-38-43)45-20-15-22-51-49-19-3-10-30-60(49)72-66(45)51)59-29-16-21-50-47-18-2-5-24-53(47)68(65(50)59)56-27-8-13-33-63(56)71-64-34-14-9-28-57(64)68/h1-41H
InChIKeyXSDHZXVJCHTRFX-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]-1-amine

N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine (PubChem CID 138477714) 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]-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine
PubChem CID138477714
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]-1-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C68H41NO3/c1-4-23-52-46(17-1)48-40-39-44(41-58(48)67(52)54-25-6-11-31-61(54)70-62-32-12-7-26-55(62)67)69(43-37-35-42(36-38-43)45-20-15-22-51-49-19-3-10-30-60(49)72-66(45)51)59-29-16-21-50-47-18-2-5-24-53(47)68(65(50)59)56-27-8-13-33-63(56)71-64-34-14-9-28-57(64)68/h1-41H
InChIKeyXSDHZXVJCHTRFX-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]-2-amine
CID 138475955
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-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-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 170421362
N-(4-dibenzofuran-4-ylphenyl)-N-phenylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-19-amine
CID 138582786
N-(4-dibenzofuran-4-ylphenyl)-N,2-diphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 118298489
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-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)aniline;N-(4-dibenzofuran-4-ylphenyl)-2-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]aniline
CID 160841944
N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-(4-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)aniline
CID 158506303

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]-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine (CID 138477714) is N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3C3(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]-1-amine?
The InChIKey is XSDHZXVJCHTRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41NO3/c1-4-23-52-46(17-1)48-40-39-44(41-58(48)67(52)54-25-6-11-31-61(54)70-62-32-12-7-26-55(62)67)69(43-37-35-42(36-38-43)45-20-15-22-51-49-19-3-10-30-60(49)72-66(45)51)59-29-16-21-50-47-18-2-5-24-53(47)68(65(50)59)56-27-8-13-33-63(56)71-64-34-14-9-28-57(64)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]-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-1-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]-1-amine is sourced from PubChem (CID 138477714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).