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

C58H39NO — CID 135271088

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C58H39NO/c1-57(2)44-22-8-5-18-41(44)55-48(57)26-14-28-50(55)59(37-34-32-36(33-35-37)38-21-13-31-53-54(38)43-20-7-12-30-52(43)60-53)51-29-15-27-49-56(51)42-19-6-11-25-47(42)58(49)45-23-9-3-16-39(45)40-17-4-10-24-46(40)58/h3-35H,1-2H3
InChIKeyBIGBOYUIHUWEDW-UHFFFAOYSA-N
MW765.96 g/mol
LogP15.37
Rot. Bonds4

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

N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 135271088) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID135271088
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21
InChIInChI=1S/C58H39NO/c1-57(2)44-22-8-5-18-41(44)55-48(57)26-14-28-50(55)59(37-34-32-36(33-35-37)38-21-13-31-53-54(38)43-20-7-12-30-52(43)60-53)51-29-15-27-49-56(51)42-19-6-11-25-47(42)58(49)45-23-9-3-16-39(45)40-17-4-10-24-46(40)58/h3-35H,1-2H3
InChIKeyBIGBOYUIHUWEDW-UHFFFAOYSA-N
XLogP15.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(4-naphtho[2,1-b][1]benzofuran-5-ylphenyl)fluoren-4-amine
CID 170036685
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139568351
N-(2-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 176583150
N-[4-(9,9-dimethyl-1-phenylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 135271066
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
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-(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-1-amine
CID 121391790
N-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158436441
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
CID 129267011
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568033

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine (CID 135271088) is N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cccc21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is BIGBOYUIHUWEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-57(2)44-22-8-5-18-41(44)55-48(57)26-14-28-50(55)59(37-34-32-36(33-35-37)38-21-13-31-53-54(38)43-20-7-12-30-52(43)60-53)51-29-15-27-49-56(51)42-19-6-11-25-47(42)58(49)45-23-9-3-16-39(45)40-17-4-10-24-46(40)58/h3-35H,1-2H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 765.96 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 135271088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).