1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine

C90H60F2N2O3 — CID 177262874

About 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine

1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine (PubChem CID 177262874) has the molecular formula C90H60F2N2O3 and a molecular weight of 1255.48 g/mol. Its IUPAC name is 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine.

Molecular Properties

• Compound Name: 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine
• PubChem CID: 177262874
• Molecular Formula: C90H60F2N2O3
• Molecular Weight: 1255.48 g/mol
• Exact Mass: 1254.46
• IUPAC Name: 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6oc7cccc(N(c8ccccc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)c7c56)cc43)cc2)cc1
• InChI: InChI=1S/C90H60F2N2O3/c1-3-59-29-47-71(48-30-59)95-73-51-37-63(38-52-73)89(61-33-41-65(91)42-34-61)79-23-13-11-21-75(79)77-55-45-69(57-81(77)89)93(67-17-7-5-8-18-67)83-25-15-27-85-87(83)88-84(26-16-28-86(88)97-85)94(68-19-9-6-10-20-68)70-46-56-78-76-22-12-14-24-80(76)90(82(78)58-70,62-35-43-66(92)44-36-62)64-39-53-74(54-40-64)96-72-49-31-60(4-2)32-50-72/h3-58H,1-2H2
• InChIKey: BQKABAJWONLHJG-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 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine?

The IUPAC name of 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine (CID 177262874) is 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine.

What is the SMILES notation for 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine?

The canonical SMILES for 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5cccc6oc7cccc(N(c8ccccc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)c7c56)cc43)cc2)cc1.

What is the InChIKey of 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine?

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

What are the key properties of 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine?

1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-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 1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine is sourced from PubChem (CID 177262874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).