2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine

C103H64F2N2O2 — CID 172539045

IUPAC2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESC=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(C=C)cc6)c6ccccc6-7)c6cccc7c6oc6ccccc67)cc54)c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C103H64F2N2O2/c1-3-63-35-39-65(40-36-63)101(67-43-47-69(104)48-44-67)87-27-11-5-19-75(87)79-55-51-71(59-91(79)101)106(95-31-17-25-85-83-23-9-15-33-97(83)108-99(85)95)73-53-57-81-77-21-7-13-29-89(77)103(93(81)61-73)90-30-14-8-22-78(90)82-58-54-74(62-94(82)103)107(96-32-18-26-86-84-24-10-16-34-98(84)109-100(86)96)72-52-56-80-76-20-6-12-28-88(76)102(92(80)60-72,68-45-49-70(105)50-46-68)66-41-37-64(4-2)38-42-66/h3-62H,1-2H2
InChIKeyGWPGDYNUCHKNJY-UHFFFAOYSA-N
MW1399.65 g/mol
LogP27.06
Rot. Bonds12

About 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine

2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 172539045) has the molecular formula C103H64F2N2O2 and a molecular weight of 1399.65 g/mol. Its IUPAC name is 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

Compound Name2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
PubChem CID172539045
Molecular FormulaC103H64F2N2O2
Molecular Weight1399.65 g/mol
Exact Mass1398.49
IUPAC Name2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
SMILESC=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(C=C)cc6)c6ccccc6-7)c6cccc7c6oc6ccccc67)cc54)c4cccc5c4oc4ccccc45)cc32)cc1
InChIInChI=1S/C103H64F2N2O2/c1-3-63-35-39-65(40-36-63)101(67-43-47-69(104)48-44-67)87-27-11-5-19-75(87)79-55-51-71(59-91(79)101)106(95-31-17-25-85-83-23-9-15-33-97(83)108-99(85)95)73-53-57-81-77-21-7-13-29-89(77)103(93(81)61-73)90-30-14-8-22-78(90)82-58-54-74(62-94(82)103)107(96-32-18-26-86-84-24-10-16-34-98(84)109-100(86)96)72-52-56-80-76-20-6-12-28-88(76)102(92(80)60-72,68-45-49-70(105)50-46-68)66-41-37-64(4-2)38-42-66/h3-62H,1-2H2
InChIKeyGWPGDYNUCHKNJY-UHFFFAOYSA-N
XLogP27.06
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms109
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001399.65
LogP ≤ 527.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine with MolForge

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Related Compounds

4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
CID 177262601
2-N,2-N'-di(dibenzofuran-3-yl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 170413785
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
CID 177262774
1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine
CID 177262874
N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine
CID 169286401
1-N,9-N-bis(3,4-difluorophenyl)-1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-1,9-diamine
CID 177262846
2-N,2-N'-bis(4-dibenzofuran-4-ylphenyl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 172539033
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
1-N,9-N-bis[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)dibenzofuran-1,9-diamine
CID 177262765
N-(3-dibenzofuran-1-ylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9-(4-fluorophenyl)fluoren-2-amine
CID 169286497
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?
The IUPAC name of 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine (CID 172539045) is 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine.
What is the SMILES notation for 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?
The canonical SMILES for 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine is C=Cc1ccc(C2(c3ccc(F)cc3)c3ccccc3-c3ccc(N(c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(C=C)cc6)c6ccccc6-7)c6cccc7c6oc6ccccc67)cc54)c4cccc5c4oc4ccccc45)cc32)cc1.
What is the InChIKey of 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?
The InChIKey is GWPGDYNUCHKNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H64F2N2O2/c1-3-63-35-39-65(40-36-63)101(67-43-47-69(104)48-44-67)87-27-11-5-19-75(87)79-55-51-71(59-91(79)101)106(95-31-17-25-85-83-23-9-15-33-97(83)108-99(85)95)73-53-57-81-77-21-7-13-29-89(77)103(93(81)61-73)90-30-14-8-22-78(90)82-58-54-74(62-94(82)103)107(96-32-18-26-86-84-24-10-16-34-98(84)109-100(86)96)72-52-56-80-76-20-6-12-28-88(76)102(92(80)60-72,68-45-49-70(105)50-46-68)66-41-37-64(4-2)38-42-66/h3-62H,1-2H2.
What are the key properties of 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?
2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 1399.65 g/mol, XLogP of 27.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 172539045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).