4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine

C85H60F4N2O2 — CID 174355086

IUPAC4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(N(c6ccc(C)c(F)c6)c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(Oc8ccc(C)cc8)cc6)c6ccccc6-7)cc5)c5ccc(C)c(F)c5)cc43)cc2)cc1
InChIInChI=1S/C85H60F4N2O2/c1-5-57-18-42-71(43-19-57)93-73-46-26-61(27-47-73)85(59-22-30-63(87)31-23-59)79-13-9-7-11-75(79)77-49-39-67(51-81(77)85)91(69-33-17-56(4)83(89)53-69)65-36-34-64(35-37-65)90(68-32-16-55(3)82(88)52-68)66-38-48-76-74-10-6-8-12-78(74)84(80(76)50-66,58-20-28-62(86)29-21-58)60-24-44-72(45-25-60)92-70-40-14-54(2)15-41-70/h5-53H,1H2,2-4H3
InChIKeyCTDYJTKCIBINBU-UHFFFAOYSA-N
MW1217.42 g/mol
LogP23.06
Rot. Bonds15

About 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine

4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine (PubChem CID 174355086) has the molecular formula C85H60F4N2O2 and a molecular weight of 1217.42 g/mol. Its IUPAC name is 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine
PubChem CID174355086
Molecular FormulaC85H60F4N2O2
Molecular Weight1217.42 g/mol
Exact Mass1216.46
IUPAC Name4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(N(c6ccc(C)c(F)c6)c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(Oc8ccc(C)cc8)cc6)c6ccccc6-7)cc5)c5ccc(C)c(F)c5)cc43)cc2)cc1
InChIInChI=1S/C85H60F4N2O2/c1-5-57-18-42-71(43-19-57)93-73-46-26-61(27-47-73)85(59-22-30-63(87)31-23-59)79-13-9-7-11-75(79)77-49-39-67(51-81(77)85)91(69-33-17-56(4)83(89)53-69)65-36-34-64(35-37-65)90(68-32-16-55(3)82(88)52-68)66-38-48-76-74-10-6-8-12-78(74)84(80(76)50-66,58-20-28-62(86)29-21-58)60-24-44-72(45-25-60)92-70-40-14-54(2)15-41-70/h5-53H,1H2,2-4H3
InChIKeyCTDYJTKCIBINBU-UHFFFAOYSA-N
XLogP23.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001217.42
LogP ≤ 523.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine with MolForge

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Related Compounds

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
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
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
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
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
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-[4-[9-[4-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]-N-(4-fluorophenyl)anilino]phenyl]fluoren-9-yl]-N-(4-fluorophenyl)anilino]phenyl]phenyl]-N-(4-fluorophenyl)-9-(2,4,5-trifluorophenyl)fluoren-2-amine
CID 172547078
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
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[3-[9-[3-(N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]anilino)phenyl]fluoren-9-yl]phenyl]anilino)phenyl]phenyl]-N,9-diphenylfluoren-2-amine
CID 172547054
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-[N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-yl]-4-(4-fluorophenyl)anilino]phenyl]phenyl]-N-[4-(4-fluorophenyl)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)fluoren-2-amine
CID 169294903
N-[4-(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 169286424
3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoroanilino)phenyl]phenyl]-3-N,7-N-bis(4-fluorophenyl)-5,5-dimethylbenzo[b][1]benzosilole-3,7-diamine
CID 172547062

Frequently Asked Questions

What is the IUPAC name of 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine (CID 174355086) is 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(N(c6ccc(C)c(F)c6)c6ccc7c(c6)C(c6ccc(F)cc6)(c6ccc(Oc8ccc(C)cc8)cc6)c6ccccc6-7)cc5)c5ccc(C)c(F)c5)cc43)cc2)cc1.
What is the InChIKey of 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine?
The InChIKey is CTDYJTKCIBINBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H60F4N2O2/c1-5-57-18-42-71(43-19-57)93-73-46-26-61(27-47-73)85(59-22-30-63(87)31-23-59)79-13-9-7-11-75(79)77-49-39-67(51-81(77)85)91(69-33-17-56(4)83(89)53-69)65-36-34-64(35-37-65)90(68-32-16-55(3)82(88)52-68)66-38-48-76-74-10-6-8-12-78(74)84(80(76)50-66,58-20-28-62(86)29-21-58)60-24-44-72(45-25-60)92-70-40-14-54(2)15-41-70/h5-53H,1H2,2-4H3.
What are the key properties of 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine?
4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine has a molecular weight of 1217.42 g/mol, XLogP of 23.06, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,4-N-bis(3-fluoro-4-methylphenyl)-1-N-[9-(4-fluorophenyl)-9-[4-(4-methylphenoxy)phenyl]fluoren-2-yl]benzene-1,4-diamine is sourced from PubChem (CID 174355086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).