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

C90H56F6N2O3 — CID 177262765

IUPAC1-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4c(F)cccc4F)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5cccc6oc7cccc(N(c8ccc(F)cc8)c8ccc9c(c8)C(c8ccc(Oc%10ccc(C=C)cc%10)cc8)(c8c(F)cccc8F)c8ccccc8-9)c7c56)cc43)cc2)cc1
InChIInChI=1S/C90H56F6N2O3/c1-3-55-25-43-65(44-26-55)99-67-47-29-57(30-48-67)89(87-77(93)17-9-18-78(87)94)73-15-7-5-13-69(73)71-51-41-63(53-75(71)89)97(61-37-33-59(91)34-38-61)81-21-11-23-83-85(81)86-82(22-12-24-84(86)101-83)98(62-39-35-60(92)36-40-62)64-42-52-72-70-14-6-8-16-74(70)90(76(72)54-64,88-79(95)19-10-20-80(88)96)58-31-49-68(50-32-58)100-66-45-27-56(4-2)28-46-66/h3-54H,1-2H2
InChIKeyZDSONZSQNWAOPQ-UHFFFAOYSA-N
MW1327.44 g/mol
LogP24.96
Rot. Bonds16

About 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

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 (PubChem CID 177262765) has the molecular formula C90H56F6N2O3 and a molecular weight of 1327.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID177262765
Molecular FormulaC90H56F6N2O3
Molecular Weight1327.44 g/mol
Exact Mass1326.42
IUPAC Name1-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4c(F)cccc4F)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5cccc6oc7cccc(N(c8ccc(F)cc8)c8ccc9c(c8)C(c8ccc(Oc%10ccc(C=C)cc%10)cc8)(c8c(F)cccc8F)c8ccccc8-9)c7c56)cc43)cc2)cc1
InChIInChI=1S/C90H56F6N2O3/c1-3-55-25-43-65(44-26-55)99-67-47-29-57(30-48-67)89(87-77(93)17-9-18-78(87)94)73-15-7-5-13-69(73)71-51-41-63(53-75(71)89)97(61-37-33-59(91)34-38-61)81-21-11-23-83-85(81)86-82(22-12-24-84(86)101-83)98(62-39-35-60(92)36-40-62)64-42-52-72-70-14-6-8-16-74(70)90(76(72)54-64,88-79(95)19-10-20-80(88)96)58-31-49-68(50-32-58)100-66-45-27-56(4-2)28-46-66/h3-54H,1-2H2
InChIKeyZDSONZSQNWAOPQ-UHFFFAOYSA-N
XLogP24.96
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001327.44
LogP ≤ 524.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
9-(2,6-difluorophenyl)-N-[4-[4-[N-[9-(2,6-difluorophenyl)-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 169294879
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 167160935
N-(2,3-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[(9R)-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2,3-difluoroanilino)phenyl]phenyl]-9-(4-fluorophenyl)fluoren-2-amine
CID 170291736
9-(2,6-difluorophenyl)-N-[9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[3-(4-fluorophenyl)phenyl]phenyl]fluoren-2-amine
CID 170541530
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(2,4,6-trifluorophenyl)fluoren-2-amine
CID 169294873
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
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
3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,6-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 172547004
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]-N-(4-fluorophenyl)-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-amine
CID 167160973
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(Oc2ccc(C3(c4c(F)cccc4F)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5cccc6oc7cccc(N(c8ccc(F)cc8)c8ccc9c(c8)C(c8ccc(Oc%10ccc(C=C)cc%10)cc8)(c8c(F)cccc8F)c8ccccc8-9)c7c56)cc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is ZDSONZSQNWAOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H56F6N2O3/c1-3-55-25-43-65(44-26-55)99-67-47-29-57(30-48-67)89(87-77(93)17-9-18-78(87)94)73-15-7-5-13-69(73)71-51-41-63(53-75(71)89)97(61-37-33-59(91)34-38-61)81-21-11-23-83-85(81)86-82(22-12-24-84(86)101-83)98(62-39-35-60(92)36-40-62)64-42-52-72-70-14-6-8-16-74(70)90(76(72)54-64,88-79(95)19-10-20-80(88)96)58-31-49-68(50-32-58)100-66-45-27-56(4-2)28-46-66/h3-54H,1-2H2.
What are the key properties of 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?
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 has a molecular weight of 1327.44 g/mol, XLogP of 24.96, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177262765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).