N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine

C64H43NO — CID 121285752

IUPACN-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4oc5ccccc5c34)ccc21
InChIInChI=1S/C64H43NO/c1-63(2)52-25-11-6-21-46(52)51-39-43(35-37-53(51)63)65(42-33-31-41(32-34-42)40-17-4-3-5-18-40)58-38-36-48(62-61(58)50-23-10-15-30-59(50)66-62)47-24-16-29-57-60(47)49-22-9-14-28-56(49)64(57)54-26-12-7-19-44(54)45-20-8-13-27-55(45)64/h3-39H,1-2H3
InChIKeyGGRIVXNJNGWVKB-UHFFFAOYSA-N
MW842.05 g/mol
LogP17.04
Rot. Bonds5

About N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine

N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine (PubChem CID 121285752) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
PubChem CID121285752
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4oc5ccccc5c34)ccc21
InChIInChI=1S/C64H43NO/c1-63(2)52-25-11-6-21-46(52)51-39-43(35-37-53(51)63)65(42-33-31-41(32-34-42)40-17-4-3-5-18-40)58-38-36-48(62-61(58)50-23-10-15-30-59(50)66-62)47-24-16-29-57-60(47)49-22-9-14-28-56(49)64(57)54-26-12-7-19-44(54)45-20-8-13-27-55(45)64/h3-39H,1-2H3
InChIKeyGGRIVXNJNGWVKB-UHFFFAOYSA-N
XLogP17.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.05
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
CID 121285759
N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169022235
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;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]-3-yldibenzofuran-4-amine
CID 159624894
N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzofuran]-5'-amine
CID 129130268
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine
CID 122504141
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 138462029
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(9,9-dimethylfluoren-4-yl)-4-fluoranthen-3-yl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139498916
N-[3-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)-5-phenylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167118083
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenyl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069498
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167177941
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine (CID 121285752) is N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc5c4-c4ccccc4C54c5ccccc5-c5ccccc54)c4oc5ccccc5c34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine?
The InChIKey is GGRIVXNJNGWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-63(2)52-25-11-6-21-46(52)51-39-43(35-37-53(51)63)65(42-33-31-41(32-34-42)40-17-4-3-5-18-40)58-38-36-48(62-61(58)50-23-10-15-30-59(50)66-62)47-24-16-29-57-60(47)49-22-9-14-28-56(49)64(57)54-26-12-7-19-44(54)45-20-8-13-27-55(45)64/h3-39H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine?
N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine has a molecular weight of 842.05 g/mol, XLogP of 17.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine is sourced from PubChem (CID 121285752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).