N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine

C58H41NO — CID 166705641

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3C3(C5=C4C=CCC5)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C58H41NO/c1-57(2)48-23-8-3-15-40(48)44-34-33-38(35-52(44)57)59(37-31-29-36(30-32-37)39-20-13-22-47-45-19-7-12-28-54(45)60-56(39)47)53-27-14-21-46-43-18-6-11-26-51(43)58(55(46)53)49-24-9-4-16-41(49)42-17-5-10-25-50(42)58/h3-10,12-25,27-35H,11,26H2,1-2H3
InChIKeyMPIPMVDMURWEDG-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.46
Rot. Bonds4

About N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine (PubChem CID 166705641) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine
PubChem CID166705641
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3C3(C5=C4C=CCC5)c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C58H41NO/c1-57(2)48-23-8-3-15-40(48)44-34-33-38(35-52(44)57)59(37-31-29-36(30-32-37)39-20-13-22-47-45-19-7-12-28-54(45)60-56(39)47)53-27-14-21-46-43-18-6-11-26-51(43)58(55(46)53)49-24-9-4-16-41(49)42-17-5-10-25-50(42)58/h3-10,12-25,27-35H,11,26H2,1-2H3
InChIKeyMPIPMVDMURWEDG-UHFFFAOYSA-N
XLogP15.46
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 67964606
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 160595414
1-N,3-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-5-spiro[1,2-dihydrofluorene-9,9'-fluorene]-2-ylbenzene-1,3-diamine
CID 139541046
N-(4-dibenzofuran-4-ylphenyl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 142340691
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[2-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 168789334
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 154960896
N-[4-(4'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-1'-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 130379490
N-(4-dibenzofuran-4-ylcyclohexa-1,3-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 144623792
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-4-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164769069

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine (CID 166705641) is N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3cccc4c3C3(C5=C4C=CCC5)c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine?
The InChIKey is MPIPMVDMURWEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-57(2)48-23-8-3-15-40(48)44-34-33-38(35-52(44)57)59(37-31-29-36(30-32-37)39-20-13-22-47-45-19-7-12-28-54(45)60-56(39)47)53-27-14-21-46-43-18-6-11-26-51(43)58(55(46)53)49-24-9-4-16-41(49)42-17-5-10-25-50(42)58/h3-10,12-25,27-35H,11,26H2,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine has a molecular weight of 767.97 g/mol, XLogP of 15.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine is sourced from PubChem (CID 166705641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).