9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine

C98H78F2N2O4 — CID 163844192

About 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine

9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine (PubChem CID 163844192) has the molecular formula C98H78F2N2O4 and a molecular weight of 1385.71 g/mol. Its IUPAC name is 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine
• PubChem CID: 163844192
• Molecular Formula: C98H78F2N2O4
• Molecular Weight: 1385.71 g/mol
• Exact Mass: 1384.59
• IUPAC Name: 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine
• SMILES: CCC1(COc2ccc(C3(c4ccccc4)c4cc(-c5ccccc5)ccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccccc7)(c7ccc(OCC9(CC)COC9)cc7)c7cc(-c9ccccc9)ccc7-8)c7ccccc7F)cc6)cc5)c5ccccc5F)cc43)cc2)COC1
• InChI: InChI=1S/C98H78F2N2O4/c1-3-95(61-103-62-95)65-105-81-49-39-75(40-50-81)97(73-25-13-7-14-26-73)87-57-71(67-21-9-5-10-22-67)37-53-83(87)85-55-47-79(59-89(85)97)101(93-31-19-17-29-91(93)99)77-43-33-69(34-44-77)70-35-45-78(46-36-70)102(94-32-20-18-30-92(94)100)80-48-56-86-84-54-38-72(68-23-11-6-12-24-68)58-88(84)98(90(86)60-80,74-27-15-8-16-28-74)76-41-51-82(52-42-76)106-66-96(4-2)63-104-64-96/h5-60H,3-4,61-66H2,1-2H3
• InChIKey: OORDYOQOVKGOSN-UHFFFAOYSA-N
• XLogP: 24.24
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1385.71
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine?

The IUPAC name of 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine (CID 163844192) is 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine.

What is the SMILES notation for 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine?

The canonical SMILES for 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine is CCC1(COc2ccc(C3(c4ccccc4)c4cc(-c5ccccc5)ccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccccc7)(c7ccc(OCC9(CC)COC9)cc7)c7cc(-c9ccccc9)ccc7-8)c7ccccc7F)cc6)cc5)c5ccccc5F)cc43)cc2)COC1.

What is the InChIKey of 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine?

The InChIKey is OORDYOQOVKGOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C98H78F2N2O4/c1-3-95(61-103-62-95)65-105-81-49-39-75(40-50-81)97(73-25-13-7-14-26-73)87-57-71(67-21-9-5-10-22-67)37-53-83(87)85-55-47-79(59-89(85)97)101(93-31-19-17-29-91(93)99)77-43-33-69(34-44-77)70-35-45-78(46-36-70)102(94-32-20-18-30-92(94)100)80-48-56-86-84-54-38-72(68-23-11-6-12-24-68)58-88(84)98(90(86)60-80,74-27-15-8-16-28-74)76-41-51-82(52-42-76)106-66-96(4-2)63-104-64-96/h5-60H,3-4,61-66H2,1-2H3.

What are the key properties of 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine?

9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine has a molecular weight of 1385.71 g/mol, XLogP of 24.24, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine is sourced from PubChem (CID 163844192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).