N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine

C82H70N2O2 — CID 155015333

About N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine

N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine (PubChem CID 155015333) has the molecular formula C82H70N2O2 and a molecular weight of 1115.47 g/mol. Its IUPAC name is N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine
• PubChem CID: 155015333
• Molecular Formula: C82H70N2O2
• Molecular Weight: 1115.47 g/mol
• Exact Mass: 1114.54
• IUPAC Name: N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine
• SMILES: C=Cc1ccc(CCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)CC8)ccc5n6-c5ccc(OCCCCCCOc6ccc(C=C)cc6)cc5)cc4)cc32)cc1
• InChI: InChI=1S/C82H70N2O2/c1-3-58-25-27-60(28-26-58)18-17-51-82(67-19-9-7-10-20-67)78-24-14-13-23-74(78)75-48-43-71(57-79(75)82)83(68-21-11-8-12-22-68)69-39-35-62(36-40-69)65-37-49-80-76(55-65)77-56-66(64-34-32-61-31-33-63(61)54-64)38-50-81(77)84(80)70-41-46-73(47-42-70)86-53-16-6-5-15-52-85-72-44-29-59(4-2)30-45-72/h3-4,7-14,19-30,32,34-50,54-57H,1-2,5-6,15-18,31,33,51-53H2
• InChIKey: WIFWNLGHXAMVSF-UHFFFAOYSA-N
• XLogP: 21.33
• TPSA: 26.63 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 22
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.47
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine?

The IUPAC name of N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine (CID 155015333) is N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine.

What is the SMILES notation for N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine?

The canonical SMILES for N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine is C=Cc1ccc(CCCC2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)CC8)ccc5n6-c5ccc(OCCCCCCOc6ccc(C=C)cc6)cc5)cc4)cc32)cc1.

What is the InChIKey of N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine?

The InChIKey is WIFWNLGHXAMVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H70N2O2/c1-3-58-25-27-60(28-26-58)18-17-51-82(67-19-9-7-10-20-67)78-24-14-13-23-74(78)75-48-43-71(57-79(75)82)83(68-21-11-8-12-22-68)69-39-35-62(36-40-69)65-37-49-80-76(55-65)77-56-66(64-34-32-61-31-33-63(61)54-64)38-50-81(77)84(80)70-41-46-73(47-42-70)86-53-16-6-5-15-52-85-72-44-29-59(4-2)30-45-72/h3-4,7-14,19-30,32,34-50,54-57H,1-2,5-6,15-18,31,33,51-53H2.

What are the key properties of N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine?

N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine has a molecular weight of 1115.47 g/mol, XLogP of 21.33, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-9-[4-[6-(4-ethenylphenoxy)hexoxy]phenyl]carbazol-3-yl]phenyl]-9-[3-(4-ethenylphenyl)propyl]-N,9-diphenylfluoren-2-amine is sourced from PubChem (CID 155015333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).