N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine

C81H53F6NO2 — CID 169286506

About N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine

N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine (PubChem CID 169286506) has the molecular formula C81H53F6NO2 and a molecular weight of 1186.31 g/mol. Its IUPAC name is N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine.

Molecular Properties

• Compound Name: N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine
• PubChem CID: 169286506
• Molecular Formula: C81H53F6NO2
• Molecular Weight: 1186.31 g/mol
• Exact Mass: 1185.40
• IUPAC Name: N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4c(F)ccc(F)c4F)c4ccccc4-c4ccc(N(c5ccc6c(c5)C(c5ccc(Oc7ccc(C=C)cc7)cc5)(c5c(F)ccc(F)c5F)c5ccccc5-6)c5cccc6c5C(C)(C)c5ccccc5-6)cc43)cc2)cc1
• InChI: InChI=1S/C81H53F6NO2/c1-5-48-22-32-54(33-23-48)89-56-36-26-50(27-37-56)80(75-69(82)42-44-71(84)77(75)86)65-19-11-8-14-58(65)61-40-30-52(46-67(61)80)88(73-21-13-17-63-60-16-7-10-18-64(60)79(3,4)74(63)73)53-31-41-62-59-15-9-12-20-66(59)81(68(62)47-53,76-70(83)43-45-72(85)78(76)87)51-28-38-57(39-29-51)90-55-34-24-49(6-2)25-35-55/h5-47H,1-2H2,3-4H3
• InChIKey: CCYFRPGWIRTODP-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 21.70 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1186.31
LogP ≤ 5	21.89
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 N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine?

The IUPAC name of N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine (CID 169286506) is N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine.

What is the SMILES notation for N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine?

The canonical SMILES for N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine is C=Cc1ccc(Oc2ccc(C3(c4c(F)ccc(F)c4F)c4ccccc4-c4ccc(N(c5ccc6c(c5)C(c5ccc(Oc7ccc(C=C)cc7)cc5)(c5c(F)ccc(F)c5F)c5ccccc5-6)c5cccc6c5C(C)(C)c5ccccc5-6)cc43)cc2)cc1.

What is the InChIKey of N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine?

The InChIKey is CCYFRPGWIRTODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H53F6NO2/c1-5-48-22-32-54(33-23-48)89-56-36-26-50(27-37-56)80(75-69(82)42-44-71(84)77(75)86)65-19-11-8-14-58(65)61-40-30-52(46-67(61)80)88(73-21-13-17-63-60-16-7-10-18-64(60)79(3,4)74(63)73)53-31-41-62-59-15-9-12-20-66(59)81(68(62)47-53,76-70(83)43-45-72(85)78(76)87)51-28-38-57(39-29-51)90-55-34-24-49(6-2)25-35-55/h5-47H,1-2H2,3-4H3.

What are the key properties of N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine?

N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine has a molecular weight of 1186.31 g/mol, XLogP of 21.89, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,6-trifluorophenyl)fluoren-2-yl]-9,9-dimethylfluoren-1-amine is sourced from PubChem (CID 169286506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).