9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine

C72H45F6NO2 — CID 170541574

About 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine

9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine (PubChem CID 170541574) has the molecular formula C72H45F6NO2 and a molecular weight of 1070.15 g/mol. Its IUPAC name is 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine
• PubChem CID: 170541574
• Molecular Formula: C72H45F6NO2
• Molecular Weight: 1070.15 g/mol
• Exact Mass: 1069.34
• IUPAC Name: 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4cc(F)c(F)cc4F)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccc(Oc7ccc(C=C)cc7)cc5)(c5cc(F)c(F)cc5F)c5ccccc5-6)cc43)cc2)cc1
• InChI: InChI=1S/C72H45F6NO2/c1-3-44-18-28-51(29-19-44)80-53-32-22-46(23-33-53)71(63-40-67(75)69(77)42-65(63)73)59-16-10-8-14-55(59)57-36-26-49(38-61(57)71)79(48-12-6-5-7-13-48)50-27-37-58-56-15-9-11-17-60(56)72(62(58)39-50,64-41-68(76)70(78)43-66(64)74)47-24-34-54(35-25-47)81-52-30-20-45(4-2)21-31-52/h3-43H,1-2H2
• InChIKey: IICUCIQMFUKKHW-UHFFFAOYSA-N
• XLogP: 19.59
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1070.15
LogP ≤ 5	19.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine?

The IUPAC name of 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine (CID 170541574) is 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine.

What is the SMILES notation for 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine?

The canonical SMILES for 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine is C=Cc1ccc(Oc2ccc(C3(c4cc(F)c(F)cc4F)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6c(c5)C(c5ccc(Oc7ccc(C=C)cc7)cc5)(c5cc(F)c(F)cc5F)c5ccccc5-6)cc43)cc2)cc1.

What is the InChIKey of 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine?

The InChIKey is IICUCIQMFUKKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H45F6NO2/c1-3-44-18-28-51(29-19-44)80-53-32-22-46(23-33-53)71(63-40-67(75)69(77)42-65(63)73)59-16-10-8-14-55(59)57-36-26-49(38-61(57)71)79(48-12-6-5-7-13-48)50-27-37-58-56-15-9-11-17-60(56)72(62(58)39-50,64-41-68(76)70(78)43-66(64)74)47-24-34-54(35-25-47)81-52-30-20-45(4-2)21-31-52/h3-43H,1-2H2.

What are the key properties of 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine?

9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine has a molecular weight of 1070.15 g/mol, XLogP of 19.59, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-N-phenyl-9-(2,4,5-trifluorophenyl)fluoren-2-amine is sourced from PubChem (CID 170541574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).