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

C90H56F6N2O3 — CID 177262846

IUPAC1-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(F)c(F)c5)c5cccc6oc7cccc(N(c8ccc(F)c(F)c8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)c7c56)cc43)cc2)cc1
InChIInChI=1S/C90H56F6N2O3/c1-3-55-19-39-67(40-20-55)99-69-43-27-59(28-44-69)89(57-23-31-61(91)32-24-57)75-13-7-5-11-71(75)73-47-35-63(51-77(73)89)97(65-37-49-79(93)81(95)53-65)83-15-9-17-85-87(83)88-84(16-10-18-86(88)101-85)98(66-38-50-80(94)82(96)54-66)64-36-48-74-72-12-6-8-14-76(72)90(78(74)52-64,58-25-33-62(92)34-26-58)60-29-45-70(46-30-60)100-68-41-21-56(4-2)22-42-68/h3-54H,1-2H2
InChIKeyKEEGHPDRVZFNIB-UHFFFAOYSA-N
MW1327.44 g/mol
LogP24.96
Rot. Bonds16

About 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

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 (PubChem CID 177262846) has the molecular formula C90H56F6N2O3 and a molecular weight of 1327.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID177262846
Molecular FormulaC90H56F6N2O3
Molecular Weight1327.44 g/mol
Exact Mass1326.42
IUPAC Name1-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
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(F)c(F)c5)c5cccc6oc7cccc(N(c8ccc(F)c(F)c8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)c7c56)cc43)cc2)cc1
InChIInChI=1S/C90H56F6N2O3/c1-3-55-19-39-67(40-20-55)99-69-43-27-59(28-44-69)89(57-23-31-61(91)32-24-57)75-13-7-5-11-71(75)73-47-35-63(51-77(73)89)97(65-37-49-79(93)81(95)53-65)83-15-9-17-85-87(83)88-84(16-10-18-86(88)101-85)98(66-38-50-80(94)82(96)54-66)64-36-48-74-72-12-6-8-14-76(72)90(78(74)52-64,58-25-33-62(92)34-26-58)60-29-45-70(46-30-60)100-68-41-21-56(4-2)22-42-68/h3-54H,1-2H2
InChIKeyKEEGHPDRVZFNIB-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(3,4-difluorophenyl)-1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]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[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
2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,2-N'-bis(2,4,5-trifluorophenyl)-9,9'-spirobi[fluorene]-2,2'-diamine
CID 169294940
9-(3,4-difluorophenyl)-N-[4-[4-(N-[9-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-fluorophenyl)fluoren-2-amine
CID 169295027
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
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
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
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
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9-(4-fluorophenyl)fluoren-2-amine
CID 169286388
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(F)c(F)c5)c5cccc6oc7cccc(N(c8ccc(F)c(F)c8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)c7c56)cc43)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is KEEGHPDRVZFNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H56F6N2O3/c1-3-55-19-39-67(40-20-55)99-69-43-27-59(28-44-69)89(57-23-31-61(91)32-24-57)75-13-7-5-11-71(75)73-47-35-63(51-77(73)89)97(65-37-49-79(93)81(95)53-65)83-15-9-17-85-87(83)88-84(16-10-18-86(88)101-85)98(66-38-50-80(94)82(96)54-66)64-36-48-74-72-12-6-8-14-76(72)90(78(74)52-64,58-25-33-62(92)34-26-58)60-29-45-70(46-30-60)100-68-41-21-56(4-2)22-42-68/h3-54H,1-2H2.
What are the key properties of 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?
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 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(3,4-difluorophenyl)-1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-1,9-diamine is sourced from PubChem (CID 177262846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).