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

C80H54F6N2 — CID 163644980

About 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

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 (PubChem CID 163644980) has the molecular formula C80H54F6N2 and a molecular weight of 1157.31 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 163644980
• Molecular Formula: C80H54F6N2
• Molecular Weight: 1157.31 g/mol
• Exact Mass: 1156.42
• IUPAC Name: 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
• SMILES: C=Cc1ccc(C2(c3ccc(F)c(F)c3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(F)c(C)c6)c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6ccc(F)c(F)c6)c6ccccc6-7)cc5)cc4)c4ccc(F)c(C)c4)cc32)cc1
• InChI: InChI=1S/C80H54F6N2/c1-5-51-15-23-55(24-16-51)79(57-27-39-75(83)77(85)45-57)69-13-9-7-11-65(69)67-37-33-63(47-71(67)79)87(61-35-41-73(81)49(3)43-61)59-29-19-53(20-30-59)54-21-31-60(32-22-54)88(62-36-42-74(82)50(4)44-62)64-34-38-68-66-12-8-10-14-70(66)80(72(68)48-64,56-25-17-52(6-2)18-26-56)58-28-40-76(84)78(86)46-58/h5-48H,1-2H2,3-4H3
• InChIKey: IHMCOHYHFCMNRT-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1157.31
LogP ≤ 5	21.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=Cc1ccc(C2(c3ccc(F)c(F)c3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(F)c(C)c6)c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6ccc(F)c(F)c6)c6ccccc6-7)cc5)cc4)c4ccc(F)c(C)c4)cc32)cc1.

What is the InChIKey of 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?

The InChIKey is IHMCOHYHFCMNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H54F6N2/c1-5-51-15-23-55(24-16-51)79(57-27-39-75(83)77(85)45-57)69-13-9-7-11-65(69)67-37-33-63(47-71(67)79)87(61-35-41-73(81)49(3)43-61)59-29-19-53(20-30-59)54-21-31-60(32-22-54)88(62-36-42-74(82)50(4)44-62)64-34-38-68-66-12-8-10-14-70(66)80(72(68)48-64,56-25-17-52(6-2)18-26-56)58-28-40-76(84)78(86)46-58/h5-48H,1-2H2,3-4H3.

What are the key properties of 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?

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 has a molecular weight of 1157.31 g/mol, XLogP of 21.76, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 163644980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).