2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine

C90H60F2N2O3 — CID 177262645

About 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine

2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine (PubChem CID 177262645) has the molecular formula C90H60F2N2O3 and a molecular weight of 1255.48 g/mol. Its IUPAC name is 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine.

Molecular Properties

• Compound Name: 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine
• PubChem CID: 177262645
• Molecular Formula: C90H60F2N2O3
• Molecular Weight: 1255.48 g/mol
• Exact Mass: 1254.46
• IUPAC Name: 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6oc7ccc(N(c8ccccc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)cc7c6c5)cc43)cc2)cc1
• InChI: InChI=1S/C90H60F2N2O3/c1-3-59-23-43-73(44-24-59)95-75-47-31-63(32-48-75)89(61-27-35-65(91)36-28-61)83-21-13-11-19-77(83)79-51-39-71(57-85(79)89)93(67-15-7-5-8-16-67)69-41-53-87-81(55-69)82-56-70(42-54-88(82)97-87)94(68-17-9-6-10-18-68)72-40-52-80-78-20-12-14-22-84(78)90(86(80)58-72,62-29-37-66(92)38-30-62)64-33-49-76(50-34-64)96-74-45-25-60(4-2)26-46-74/h3-58H,1-2H2
• InChIKey: LPURNOKEBPZZGI-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 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine?

The IUPAC name of 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine (CID 177262645) is 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine.

What is the SMILES notation for 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine?

The canonical SMILES for 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc6oc7ccc(N(c8ccccc8)c8ccc9c(c8)C(c8ccc(F)cc8)(c8ccc(Oc%10ccc(C=C)cc%10)cc8)c8ccccc8-9)cc7c6c5)cc43)cc2)cc1.

What is the InChIKey of 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine?

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

What are the key properties of 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine?

2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-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 2-N,8-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-2-N,8-N-diphenyldibenzofuran-2,8-diamine is sourced from PubChem (CID 177262645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).