N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine

C90H60F4N2O2 — CID 167019630

IUPACN-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)c7ccc(F)cc7F)cc6)cc5)c5ccc(F)cc5F)cc43)cc2)cc1
InChIInChI=1S/C90H60F4N2O2/c1-3-59-23-43-73(44-24-59)97-75-47-31-65(32-48-75)89(63-15-7-5-8-16-63)81-21-13-11-19-77(81)79-51-41-71(57-83(79)89)95(87-53-35-67(91)55-85(87)93)69-37-27-61(28-38-69)62-29-39-70(40-30-62)96(88-54-36-68(92)56-86(88)94)72-42-52-80-78-20-12-14-22-82(78)90(84(80)58-72,64-17-9-6-10-18-64)66-33-49-76(50-34-66)98-74-45-25-60(4-2)26-46-74/h3-58H,1-2H2
InChIKeyFFONRWURHJXMMF-UHFFFAOYSA-N
MW1277.47 g/mol
LogP24.45
Rot. Bonds17

About N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine

N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine (PubChem CID 167019630) has the molecular formula C90H60F4N2O2 and a molecular weight of 1277.47 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine
PubChem CID167019630
Molecular FormulaC90H60F4N2O2
Molecular Weight1277.47 g/mol
Exact Mass1276.46
IUPAC NameN-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)c7ccc(F)cc7F)cc6)cc5)c5ccc(F)cc5F)cc43)cc2)cc1
InChIInChI=1S/C90H60F4N2O2/c1-3-59-23-43-73(44-24-59)97-75-47-31-65(32-48-75)89(63-15-7-5-8-16-63)81-21-13-11-19-77(81)79-51-41-71(57-83(79)89)95(87-53-35-67(91)55-85(87)93)69-37-27-61(28-38-69)62-29-39-70(40-30-62)96(88-54-36-68(92)56-86(88)94)72-42-52-80-78-20-12-14-22-82(78)90(84(80)58-72,64-17-9-6-10-18-64)66-33-49-76(50-34-66)98-74-45-25-60(4-2)26-46-74/h3-58H,1-2H2
InChIKeyFFONRWURHJXMMF-UHFFFAOYSA-N
XLogP24.45
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001277.47
LogP ≤ 524.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine with MolForge

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Related Compounds

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-[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-(2,4-difluorophenyl)-N-[9-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167160920
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
2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine
CID 172547070
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
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-(2,5-difluorophenyl)-N-[9-(2,5-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-9-[4-(4-ethenylphenoxy)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167160912
9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3,4,5-trifluorophenyl)fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(3,4,5-trifluorophenyl)fluoren-2-amine
CID 169294943
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-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N,9-bis(3-fluorophenyl)fluoren-2-amine
CID 169295042
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

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine (CID 167019630) is N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)c7ccc(F)cc7F)cc6)cc5)c5ccc(F)cc5F)cc43)cc2)cc1.
What is the InChIKey of N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine?
The InChIKey is FFONRWURHJXMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60F4N2O2/c1-3-59-23-43-73(44-24-59)97-75-47-31-65(32-48-75)89(63-15-7-5-8-16-63)81-21-13-11-19-77(81)79-51-41-71(57-83(79)89)95(87-53-35-67(91)55-85(87)93)69-37-27-61(28-38-69)62-29-39-70(40-30-62)96(88-54-36-68(92)56-86(88)94)72-42-52-80-78-20-12-14-22-82(78)90(84(80)58-72,64-17-9-6-10-18-64)66-33-49-76(50-34-66)98-74-45-25-60(4-2)26-46-74/h3-58H,1-2H2.
What are the key properties of N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine?
N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine has a molecular weight of 1277.47 g/mol, XLogP of 24.45, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 167019630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).