N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine

C₁₀₃H₇₂F₄N₂O₂ — CID 163451957

About N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine

N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine (PubChem CID 163451957) has the molecular formula C₁₀₃H₇₂F₄N₂O₂ and a molecular weight of 1445.71 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine
• PubChem CID: 163451957
• Molecular Formula: C₁₀₃H₇₂F₄N₂O₂
• Molecular Weight: 1445.71 g/mol
• Exact Mass: 1444.55
• IUPAC Name: N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(C4=CC(C)CC=C4)c4cc(-c5ccccc5)ccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(F)c(F)c7)c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7cc(-c9ccccc9)ccc7-8)cc6)cc5)c5ccc(F)c(F)c5)cc43)cc2)cc1
• InChI: InChI=1S/C103H72F4N2O2/c1-4-68-24-46-86(47-25-68)110-88-50-34-77(35-51-88)102(76-21-13-8-14-22-76)94-61-74(70-17-9-6-10-18-70)32-54-90(94)92-56-42-82(63-96(92)102)108(84-44-58-98(104)100(106)65-84)80-38-28-72(29-39-80)73-30-40-81(41-31-73)109(85-45-59-99(105)101(107)66-85)83-43-57-93-91-55-33-75(71-19-11-7-12-20-71)62-95(91)103(97(93)64-83,79-23-15-16-67(3)60-79)78-36-52-89(53-37-78)111-87-48-26-69(5-2)27-49-87/h4-15,17-67H,1-2,16H2,3H3
• InChIKey: BHIYXLKIVMIRCW-UHFFFAOYSA-N
• XLogP: 28.25
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1445.71
LogP ≤ 5	28.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine?

The IUPAC name of N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine (CID 163451957) is N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine.

What is the SMILES notation for N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine?

The canonical SMILES for N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(C4=CC(C)CC=C4)c4cc(-c5ccccc5)ccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc(F)c(F)c7)c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7cc(-c9ccccc9)ccc7-8)cc6)cc5)c5ccc(F)c(F)c5)cc43)cc2)cc1.

What is the InChIKey of N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine?

The InChIKey is BHIYXLKIVMIRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H72F4N2O2/c1-4-68-24-46-86(47-25-68)110-88-50-34-77(35-51-88)102(76-21-13-8-14-22-76)94-61-74(70-17-9-6-10-18-70)32-54-90(94)92-56-42-82(63-96(92)102)108(84-44-58-98(104)100(106)65-84)80-38-28-72(29-39-80)73-30-40-81(41-31-73)109(85-45-59-99(105)101(107)66-85)83-43-57-93-91-55-33-75(71-19-11-7-12-20-71)62-95(91)103(97(93)64-83,79-23-15-16-67(3)60-79)78-36-52-89(53-37-78)111-87-48-26-69(5-2)27-49-87/h4-15,17-67H,1-2,16H2,3H3.

What are the key properties of N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine?

N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine has a molecular weight of 1445.71 g/mol, XLogP of 28.25, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine is sourced from PubChem (CID 163451957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163451957 — identifiers, structure, computed properties (public domain)

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