N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine

C82H60F4N2 — CID 174354316

IUPACN-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(C2(c3cc(C)ccc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6cc(C)ccc6C)c6ccccc6-7)c6c(F)cccc6F)cc5)cc4)c4cc(F)ccc4F)cc32)cc1
InChIInChI=1S/C82H60F4N2/c1-7-55-24-32-59(33-25-55)81(72-46-51(3)20-22-53(72)5)70-16-11-9-14-66(70)68-43-41-64(49-74(68)81)87(79-48-61(83)36-45-76(79)84)62-37-28-57(29-38-62)58-30-39-63(40-31-58)88(80-77(85)18-13-19-78(80)86)65-42-44-69-67-15-10-12-17-71(67)82(75(69)50-65,60-34-26-56(8-2)27-35-60)73-47-52(4)21-23-54(73)6/h7-50H,1-2H2,3-6H3
InChIKeyASRGZHQXTPLSJA-UHFFFAOYSA-N
MW1149.39 g/mol
LogP22.10
Rot. Bonds13

About N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine

N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine (PubChem CID 174354316) has the molecular formula C82H60F4N2 and a molecular weight of 1149.39 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine
PubChem CID174354316
Molecular FormulaC82H60F4N2
Molecular Weight1149.39 g/mol
Exact Mass1148.47
IUPAC NameN-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine
SMILESC=Cc1ccc(C2(c3cc(C)ccc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6cc(C)ccc6C)c6ccccc6-7)c6c(F)cccc6F)cc5)cc4)c4cc(F)ccc4F)cc32)cc1
InChIInChI=1S/C82H60F4N2/c1-7-55-24-32-59(33-25-55)81(72-46-51(3)20-22-53(72)5)70-16-11-9-14-66(70)68-43-41-64(49-74(68)81)87(79-48-61(83)36-45-76(79)84)62-37-28-57(29-38-62)58-30-39-63(40-31-58)88(80-77(85)18-13-19-78(80)86)65-42-44-69-67-15-10-12-17-71(67)82(75(69)50-65,60-34-26-56(8-2)27-35-60)73-47-52(4)21-23-54(73)6/h7-50H,1-2H2,3-6H3
InChIKeyASRGZHQXTPLSJA-UHFFFAOYSA-N
XLogP22.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001149.39
LogP ≤ 522.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine with MolForge

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Related Compounds

9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-phenylanilino)-2-fluorophenyl]-3-fluorophenyl]-9-(4-ethenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 166648049
2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
CID 146516509
3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 177262564
9-(4-ethenylphenyl)-N-[4-[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-N-(4-fluoro-3-methylphenyl)-9-(4-fluorophenyl)fluoren-2-amine
CID 163500868
N-(2,4-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]-2,4-difluoroanilino)phenyl]-2,5-dihexylphenyl]phenyl]-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-amine
CID 164948806
9-(4-ethenylphenyl)-N-[9-(4-ethenylphenyl)-9-(3-fluorophenyl)fluoren-2-yl]-9-(3-fluorophenyl)-N-[4-(4-fluorophenyl)phenyl]fluoren-2-amine
CID 170541554
9-(3,4-difluorophenyl)-N-[4-[4-(N-[9-(3,4-difluorophenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-4-fluoro-3-methylanilino)phenyl]phenyl]-9-(4-ethenylphenyl)-N-(4-fluoro-3-methylphenyl)fluoren-2-amine
CID 163644980
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
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
2-N,7-N-bis[4-(N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]-2-N,7-N-bis(4-fluorophenyl)-9,9-dimethylfluorene-2,7-diamine
CID 172546940
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-[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

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine?
The IUPAC name of N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine (CID 174354316) is N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine is C=Cc1ccc(C2(c3cc(C)ccc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6cc(C)ccc6C)c6ccccc6-7)c6c(F)cccc6F)cc5)cc4)c4cc(F)ccc4F)cc32)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine?
The InChIKey is ASRGZHQXTPLSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H60F4N2/c1-7-55-24-32-59(33-25-55)81(72-46-51(3)20-22-53(72)5)70-16-11-9-14-66(70)68-43-41-64(49-74(68)81)87(79-48-61(83)36-45-76(79)84)62-37-28-57(29-38-62)58-30-39-63(40-31-58)88(80-77(85)18-13-19-78(80)86)65-42-44-69-67-15-10-12-17-71(67)82(75(69)50-65,60-34-26-56(8-2)27-35-60)73-47-52(4)21-23-54(73)6/h7-50H,1-2H2,3-6H3.
What are the key properties of N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine?
N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine has a molecular weight of 1149.39 g/mol, XLogP of 22.10, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-2,6-difluoroanilino)phenyl]phenyl]-9-(4-ethenylphenyl)fluoren-2-amine is sourced from PubChem (CID 174354316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).