N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline

C67H41NO3 — CID 138582958

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc(-c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)c3)cc2)cc1
InChIInChI=1S/C67H41NO3/c1-2-13-42(14-3-1)43-25-31-48(32-26-43)68(49-33-27-44(28-34-49)46-29-36-61-55(40-46)53-19-7-11-24-60(53)69-61)50-16-12-15-45(39-50)47-30-37-62-64(41-47)71-66-63(70-62)38-35-59-65(66)54-20-6-10-23-58(54)67(59)56-21-8-4-17-51(56)52-18-5-9-22-57(52)67/h1-41H
InChIKeyCUGAIEXIMPGBPI-UHFFFAOYSA-N
MW908.07 g/mol
LogP18.30
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline

N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline (PubChem CID 138582958) has the molecular formula C67H41NO3 and a molecular weight of 908.07 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline
PubChem CID138582958
Molecular FormulaC67H41NO3
Molecular Weight908.07 g/mol
Exact Mass907.31
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc(-c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)c3)cc2)cc1
InChIInChI=1S/C67H41NO3/c1-2-13-42(14-3-1)43-25-31-48(32-26-43)68(49-33-27-44(28-34-49)46-29-36-61-55(40-46)53-19-7-11-24-60(53)69-61)50-16-12-15-45(39-50)47-30-37-62-64(41-47)71-66-63(70-62)38-35-59-65(66)54-20-6-10-23-58(54)67(59)56-21-8-4-17-51(56)52-18-5-9-22-57(52)67/h1-41H
InChIKeyCUGAIEXIMPGBPI-UHFFFAOYSA-N
XLogP18.30
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.07
LogP ≤ 518.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine
CID 138581262
N-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 159899599
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582913
N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 159125994
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-2-amine
CID 130263998
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
N-(2,4-diphenylphenyl)-N-phenylspiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-3'-amine
CID 138582107

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline (CID 138582958) is N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)c3cccc(-c4ccc5c(c4)Oc4c(ccc6c4-c4ccccc4C64c6ccccc6-c6ccccc64)O5)c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline?
The InChIKey is CUGAIEXIMPGBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41NO3/c1-2-13-42(14-3-1)43-25-31-48(32-26-43)68(49-33-27-44(28-34-49)46-29-36-61-55(40-46)53-19-7-11-24-60(53)69-61)50-16-12-15-45(39-50)47-30-37-62-64(41-47)71-66-63(70-62)38-35-59-65(66)54-20-6-10-23-58(54)67(59)56-21-8-4-17-51(56)52-18-5-9-22-57(52)67/h1-41H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline?
N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline has a molecular weight of 908.07 g/mol, XLogP of 18.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline is sourced from PubChem (CID 138582958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).