2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine

C98H76F2N2O3 — CID 177262831

IUPAC2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6oc7ccc(N(c8ccc(F)cc8)c8ccc9c(c8)C(c8ccc(Oc%10ccc(C=C)cc%10)cc8)(c8ccc(C(C)(C)C)cc8)c8ccccc8-9)cc7c6c5)cc43)cc2)cc1
InChIInChI=1S/C98H76F2N2O3/c1-9-63-19-47-79(48-20-63)103-81-51-31-69(32-52-81)97(67-27-23-65(24-28-67)95(3,4)5)89-17-13-11-15-83(89)85-55-43-77(61-91(85)97)101(73-39-35-71(99)36-40-73)75-45-57-93-87(59-75)88-60-76(46-58-94(88)105-93)102(74-41-37-72(100)38-42-74)78-44-56-86-84-16-12-14-18-90(84)98(92(86)62-78,68-29-25-66(26-30-68)96(6,7)8)70-33-53-82(54-34-70)104-80-49-21-64(10-2)22-50-80/h9-62H,1-2H2,3-8H3
InChIKeyAGONKQGFHSEONE-UHFFFAOYSA-N
MW1367.69 g/mol
LogP27.00
Rot. Bonds16

About 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine

2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine (PubChem CID 177262831) has the molecular formula C98H76F2N2O3 and a molecular weight of 1367.69 g/mol. Its IUPAC name is 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine.

Molecular Properties

Compound Name2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine
PubChem CID177262831
Molecular FormulaC98H76F2N2O3
Molecular Weight1367.69 g/mol
Exact Mass1366.58
IUPAC Name2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6oc7ccc(N(c8ccc(F)cc8)c8ccc9c(c8)C(c8ccc(Oc%10ccc(C=C)cc%10)cc8)(c8ccc(C(C)(C)C)cc8)c8ccccc8-9)cc7c6c5)cc43)cc2)cc1
InChIInChI=1S/C98H76F2N2O3/c1-9-63-19-47-79(48-20-63)103-81-51-31-69(32-52-81)97(67-27-23-65(24-28-67)95(3,4)5)89-17-13-11-15-83(89)85-55-43-77(61-91(85)97)101(73-39-35-71(99)36-40-73)75-45-57-93-87(59-75)88-60-76(46-58-94(88)105-93)102(74-41-37-72(100)38-42-74)78-44-56-86-84-16-12-14-18-90(84)98(92(86)62-78,68-29-25-66(26-30-68)96(6,7)8)70-33-53-82(54-34-70)104-80-49-21-64(10-2)22-50-80/h9-62H,1-2H2,3-8H3
InChIKeyAGONKQGFHSEONE-UHFFFAOYSA-N
XLogP27.00
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001367.69
LogP ≤ 527.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine with MolForge

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Related Compounds

2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine
CID 177262645
9-(4-tert-butylphenyl)-N-[4-[4-[N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 166686240
2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-bis[4-(3-phenylphenyl)phenyl]dibenzofuran-2,8-diamine
CID 177262708
2-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2-N,9-N-bis(4-fluorophenyl)naphtho[2,3-b][1]benzofuran-2,9-diamine
CID 177262839
3-N,7-N-bis[3-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 177262599
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
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-[4-[4-[9-[4-[4-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)anilino]phenyl]fluoren-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]phenyl]-N,9-bis(4-fluorophenyl)fluoren-2-amine
CID 172547006
N-[4-[4-[dibenzofuran-2-yl-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]amino]phenyl]phenyl]-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]dibenzofuran-2-amine
CID 170413578
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
3-N,7-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzothiophene-3,7-diamine
CID 177262791
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-N-(4-fluorophenyl)-9-phenylfluoren-2-amine
CID 166686283
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

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine?
The IUPAC name of 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine (CID 177262831) is 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine.
What is the SMILES notation for 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine?
The canonical SMILES for 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccc(C(C)(C)C)cc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5ccc6oc7ccc(N(c8ccc(F)cc8)c8ccc9c(c8)C(c8ccc(Oc%10ccc(C=C)cc%10)cc8)(c8ccc(C(C)(C)C)cc8)c8ccccc8-9)cc7c6c5)cc43)cc2)cc1.
What is the InChIKey of 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine?
The InChIKey is AGONKQGFHSEONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H76F2N2O3/c1-9-63-19-47-79(48-20-63)103-81-51-31-69(32-52-81)97(67-27-23-65(24-28-67)95(3,4)5)89-17-13-11-15-83(89)85-55-43-77(61-91(85)97)101(73-39-35-71(99)36-40-73)75-45-57-93-87(59-75)88-60-76(46-58-94(88)105-93)102(74-41-37-72(100)38-42-74)78-44-56-86-84-16-12-14-18-90(84)98(92(86)62-78,68-29-25-66(26-30-68)96(6,7)8)70-33-53-82(54-34-70)104-80-49-21-64(10-2)22-50-80/h9-62H,1-2H2,3-8H3.
What are the key properties of 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine?
2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine has a molecular weight of 1367.69 g/mol, XLogP of 27.00, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis[9-(4-tert-butylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2-N,8-N-bis(4-fluorophenyl)dibenzofuran-2,8-diamine is sourced from PubChem (CID 177262831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).