9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

C88H72F4N2O2 — CID 167020012

About 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (PubChem CID 167020012) has the molecular formula C88H72F4N2O2 and a molecular weight of 1265.55 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• PubChem CID: 167020012
• Molecular Formula: C88H72F4N2O2
• Molecular Weight: 1265.55 g/mol
• Exact Mass: 1264.55
• IUPAC Name: 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• SMILES: C=CCOc1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(F)c(F)c6)c6ccc7c(c6)C(c6ccc(OCC=C)cc6)(c6ccc(C(C)(C)C)cc6)c6ccccc6-7)cc5)cc4)c4ccc(F)c(F)c4)cc32)cc1
• InChI: InChI=1S/C88H72F4N2O2/c1-9-51-95-71-43-31-63(32-44-71)87(61-27-23-59(24-28-61)85(3,4)5)77-17-13-11-15-73(77)75-47-39-67(53-79(75)87)93(69-41-49-81(89)83(91)55-69)65-35-19-57(20-36-65)58-21-37-66(38-22-58)94(70-42-50-82(90)84(92)56-70)68-40-48-76-74-16-12-14-18-78(74)88(80(76)54-68,62-29-25-60(26-30-62)86(6,7)8)64-33-45-72(46-34-64)96-52-10-2/h9-50,53-56H,1-2,51-52H2,3-8H3
• InChIKey: RFDZEWWISPXGBF-UHFFFAOYSA-N
• XLogP: 23.30
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1265.55
LogP ≤ 5	23.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The IUPAC name of 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (CID 167020012) is 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

What is the SMILES notation for 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The canonical SMILES for 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is C=CCOc1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(F)c(F)c6)c6ccc7c(c6)C(c6ccc(OCC=C)cc6)(c6ccc(C(C)(C)C)cc6)c6ccccc6-7)cc5)cc4)c4ccc(F)c(F)c4)cc32)cc1.

What is the InChIKey of 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The InChIKey is RFDZEWWISPXGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H72F4N2O2/c1-9-51-95-71-43-31-63(32-44-71)87(61-27-23-59(24-28-61)85(3,4)5)77-17-13-11-15-73(77)75-47-39-67(53-79(75)87)93(69-41-49-81(89)83(91)55-69)65-35-19-57(20-36-65)58-21-37-66(38-22-58)94(70-42-50-82(90)84(92)56-70)68-40-48-76-74-16-12-14-18-78(74)88(80(76)54-68,62-29-25-60(26-30-62)86(6,7)8)64-33-45-72(46-34-64)96-52-10-2/h9-50,53-56H,1-2,51-52H2,3-8H3.

What are the key properties of 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine has a molecular weight of 1265.55 g/mol, XLogP of 23.30, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butylphenyl)-N-[4-[4-(N-[9-(4-tert-butylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-N-(3,4-difluorophenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is sourced from PubChem (CID 167020012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).