N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine

C64H43NO — CID 138462029

IUPACN-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C64H43NO/c1-63(2)53-23-9-3-16-44(53)47-37-35-43(39-58(47)63)65(42-33-30-40(31-34-42)41-32-36-50-49-20-8-14-29-60(49)66-61(50)38-41)59-28-13-7-19-48(59)51-22-15-27-57-62(51)52-21-6-12-26-56(52)64(57)54-24-10-4-17-45(54)46-18-5-11-25-55(46)64/h3-39H,1-2H3
InChIKeyNNXRJXKWILAROM-UHFFFAOYSA-N
MW842.05 g/mol
LogP17.04
Rot. Bonds5

About N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine

N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine (PubChem CID 138462029) has the molecular formula C64H43NO and a molecular weight of 842.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
PubChem CID138462029
Molecular FormulaC64H43NO
Molecular Weight842.05 g/mol
Exact Mass841.33
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C64H43NO/c1-63(2)53-23-9-3-16-44(53)47-37-35-43(39-58(47)63)65(42-33-30-40(31-34-42)41-32-36-50-49-20-8-14-29-60(49)66-61(50)38-41)59-28-13-7-19-48(59)51-22-15-27-57-62(51)52-21-6-12-26-56(52)64(57)54-24-10-4-17-45(54)46-18-5-11-25-55(46)64/h3-39H,1-2H3
InChIKeyNNXRJXKWILAROM-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-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
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
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
N-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran-3-amine
CID 177280948
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270
N-(9,9-dimethylfluoren-2-yl)-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-1-amine
CID 130263964
N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293247
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenylfluoren-2-amine
CID 170139028
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(4-dibenzofuran-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-N-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;9,9-diphenyl-N,N-bis(3-phenylphenyl)fluoren-2-amine;N-[2-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 157397813
N-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-1-ylamino]phenyl]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 71126681
N-(4-dibenzofuran-2-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170139719

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine (CID 138462029) is N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
The InChIKey is NNXRJXKWILAROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H43NO/c1-63(2)53-23-9-3-16-44(53)47-37-35-43(39-58(47)63)65(42-33-30-40(31-34-42)41-32-36-50-49-20-8-14-29-60(49)66-61(50)38-41)59-28-13-7-19-48(59)51-22-15-27-57-62(51)52-21-6-12-26-56(52)64(57)54-24-10-4-17-45(54)46-18-5-11-25-55(46)64/h3-39H,1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine?
N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-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-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 138462029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).