9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine

C90H78F2N2O4 — CID 167019664

About 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine

9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine (PubChem CID 167019664) has the molecular formula C90H78F2N2O4 and a molecular weight of 1289.62 g/mol. Its IUPAC name is 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine
• PubChem CID: 167019664
• Molecular Formula: C90H78F2N2O4
• Molecular Weight: 1289.62 g/mol
• Exact Mass: 1288.59
• IUPAC Name: 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine
• SMILES: CCC1(COc2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccc(OCC9(CC)COC9)cc7)(c7cc(C)ccc7C)c7ccccc7-8)c7ccccc7F)cc6)cc5)c5ccccc5F)cc43)cc2)COC1
• InChI: InChI=1S/C90H78F2N2O4/c1-7-87(53-95-54-87)57-97-71-43-33-65(34-44-71)89(79-49-59(3)25-27-61(79)5)77-19-11-9-17-73(77)75-47-41-69(51-81(75)89)93(85-23-15-13-21-83(85)91)67-37-29-63(30-38-67)64-31-39-68(40-32-64)94(86-24-16-14-22-84(86)92)70-42-48-76-74-18-10-12-20-78(74)90(82(76)52-70,80-50-60(4)26-28-62(80)6)66-35-45-72(46-36-66)98-58-88(8-2)55-96-56-88/h9-52H,7-8,53-58H2,1-6H3
• InChIKey: OKMUUCYDGPKGQU-UHFFFAOYSA-N
• XLogP: 22.14
• TPSA: 43.40 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1289.62
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine?

The IUPAC name of 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine (CID 167019664) is 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine.

What is the SMILES notation for 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine?

The canonical SMILES for 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine is CCC1(COc2ccc(C3(c4cc(C)ccc4C)c4ccccc4-c4ccc(N(c5ccc(-c6ccc(N(c7ccc8c(c7)C(c7ccc(OCC9(CC)COC9)cc7)(c7cc(C)ccc7C)c7ccccc7-8)c7ccccc7F)cc6)cc5)c5ccccc5F)cc43)cc2)COC1.

What is the InChIKey of 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine?

The InChIKey is OKMUUCYDGPKGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H78F2N2O4/c1-7-87(53-95-54-87)57-97-71-43-33-65(34-44-71)89(79-49-59(3)25-27-61(79)5)77-19-11-9-17-73(77)75-47-41-69(51-81(75)89)93(85-23-15-13-21-83(85)91)67-37-29-63(30-38-67)64-31-39-68(40-32-64)94(86-24-16-14-22-84(86)92)70-42-48-76-74-18-10-12-20-78(74)90(82(76)52-70,80-50-60(4)26-28-62(80)6)66-35-45-72(46-36-66)98-58-88(8-2)55-96-56-88/h9-52H,7-8,53-58H2,1-6H3.

What are the key properties of 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine?

9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine has a molecular weight of 1289.62 g/mol, XLogP of 22.14, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine is sourced from PubChem (CID 167019664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).