9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine

C92H66F2N2O2 — CID 167019644

About 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine

9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine (PubChem CID 167019644) has the molecular formula C92H66F2N2O2 and a molecular weight of 1269.55 g/mol. Its IUPAC name is 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine
• PubChem CID: 167019644
• Molecular Formula: C92H66F2N2O2
• Molecular Weight: 1269.55 g/mol
• Exact Mass: 1268.51
• IUPAC Name: 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine
• SMILES: Cc1ccc(C2(c3ccc(Oc4ccc5c(c4)CC5)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6cccc(F)c6)c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(Oc8ccc9c(c8)CC9)cc6)c6ccccc6-7)cc5)cc4)c4cccc(F)c4)cc32)cc1
• InChI: InChI=1S/C92H66F2N2O2/c1-59-17-31-67(32-18-59)91(69-35-47-79(48-36-69)97-81-45-29-63-21-23-65(63)53-81)87-15-5-3-13-83(87)85-51-43-77(57-89(85)91)95(75-11-7-9-71(93)55-75)73-39-25-61(26-40-73)62-27-41-74(42-28-62)96(76-12-8-10-72(94)56-76)78-44-52-86-84-14-4-6-16-88(84)92(90(86)58-78,68-33-19-60(2)20-34-68)70-37-49-80(50-38-70)98-82-46-30-64-22-24-66(64)54-82/h3-20,25-58H,21-24H2,1-2H3
• InChIKey: PUDKUXOMWZKARC-UHFFFAOYSA-N
• XLogP: 23.70
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1269.55
LogP ≤ 5	23.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine?

The IUPAC name of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine (CID 167019644) is 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine.

What is the SMILES notation for 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine?

The canonical SMILES for 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine is Cc1ccc(C2(c3ccc(Oc4ccc5c(c4)CC5)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6cccc(F)c6)c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(Oc8ccc9c(c8)CC9)cc6)c6ccccc6-7)cc5)cc4)c4cccc(F)c4)cc32)cc1.

What is the InChIKey of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine?

The InChIKey is PUDKUXOMWZKARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H66F2N2O2/c1-59-17-31-67(32-18-59)91(69-35-47-79(48-36-69)97-81-45-29-63-21-23-65(63)53-81)87-15-5-3-13-83(87)85-51-43-77(57-89(85)91)95(75-11-7-9-71(93)55-75)73-39-25-61(26-40-73)62-27-41-74(42-28-62)96(76-12-8-10-72(94)56-76)78-44-52-86-84-14-4-6-16-88(84)92(90(86)58-78,68-33-19-60(2)20-34-68)70-37-49-80(50-38-70)98-82-46-30-64-22-24-66(64)54-82/h3-20,25-58H,21-24H2,1-2H3.

What are the key properties of 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine?

9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine has a molecular weight of 1269.55 g/mol, XLogP of 23.70, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-N-[4-[4-(N-[9-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyloxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-3-fluoroanilino)phenyl]phenyl]-N-(3-fluorophenyl)-9-(4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 167019644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).