4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine

C90H60F2N2O3 — CID 177262601

About 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine

4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine (PubChem CID 177262601) has the molecular formula C90H60F2N2O3 and a molecular weight of 1255.48 g/mol. Its IUPAC name is 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine.

Molecular Properties

• Compound Name: 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
• PubChem CID: 177262601
• Molecular Formula: C90H60F2N2O3
• Molecular Weight: 1255.48 g/mol
• Exact Mass: 1254.46
• IUPAC Name: 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5cccc6c5oc5c(N(c7ccc(F)cc7)c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)cccc56)cc43)cc2)cc1
• InChI: InChI=1S/C90H60F2N2O3/c1-3-59-29-47-71(48-30-59)95-73-51-33-63(34-52-73)89(61-17-7-5-8-18-61)81-25-13-11-21-75(81)77-55-45-69(57-83(77)89)93(67-41-37-65(91)38-42-67)85-27-15-23-79-80-24-16-28-86(88(80)97-87(79)85)94(68-43-39-66(92)40-44-68)70-46-56-78-76-22-12-14-26-82(76)90(84(78)58-70,62-19-9-6-10-20-62)64-35-53-74(54-36-64)96-72-49-31-60(4-2)32-50-72/h3-58H,1-2H2
• InChIKey: QIMVZIOYQRUDHX-UHFFFAOYSA-N
• XLogP: 24.40
• TPSA: 38.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1255.48
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine?

The IUPAC name of 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine (CID 177262601) is 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine.

What is the SMILES notation for 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine?

The canonical SMILES for 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccccc4)c4ccccc4-c4ccc(N(c5ccc(F)cc5)c5cccc6c5oc5c(N(c7ccc(F)cc7)c7ccc8c(c7)C(c7ccccc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)cccc56)cc43)cc2)cc1.

What is the InChIKey of 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine?

The InChIKey is QIMVZIOYQRUDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H60F2N2O3/c1-3-59-29-47-71(48-30-59)95-73-51-33-63(34-52-73)89(61-17-7-5-8-18-61)81-25-13-11-21-75(81)77-55-45-69(57-83(77)89)93(67-41-37-65(91)38-42-67)85-27-15-23-79-80-24-16-28-86(88(80)97-87(79)85)94(68-43-39-66(92)40-44-68)70-46-56-78-76-22-12-14-26-82(76)90(84(78)58-70,62-19-9-6-10-20-62)64-35-53-74(54-36-64)96-72-49-31-60(4-2)32-50-72/h3-58H,1-2H2.

What are the key properties of 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine?

4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine has a molecular weight of 1255.48 g/mol, XLogP of 24.40, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine is sourced from PubChem (CID 177262601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).