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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine

C100H82F2N2O6 — CID 170371149

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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine (PubChem CID 170371149) has the molecular formula C100H82F2N2O6 and a molecular weight of 1445.76 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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine
• PubChem CID: 170371149
• Molecular Formula: C100H82F2N2O6
• Molecular Weight: 1445.76 g/mol
• Exact Mass: 1444.61
• 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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine
• SMILES: CCOCCOc1ccc(C2(c3ccc(Oc4ccc5c(c4)CC5)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(C)c(F)c6)c6ccc7c(c6)C(c6ccc(OCCOCC)cc6)(c6ccc(Oc8ccc9c(c8)CC9)cc6)c6ccccc6-7)cc5)cc4)c4ccc(C)c(F)c4)cc32)cc1
• InChI: InChI=1S/C100H82F2N2O6/c1-5-105-55-57-107-83-45-27-73(28-46-83)99(75-31-49-85(50-32-75)109-87-43-25-69-17-19-71(69)59-87)93-13-9-7-11-89(93)91-53-41-79(61-95(91)99)103(81-35-15-65(3)97(101)63-81)77-37-21-67(22-38-77)68-23-39-78(40-24-68)104(82-36-16-66(4)98(102)64-82)80-42-54-92-90-12-8-10-14-94(90)100(96(92)62-80,74-29-47-84(48-30-74)108-58-56-106-6-2)76-33-51-86(52-34-76)110-88-44-26-70-18-20-72(70)60-88/h7-16,21-54,59-64H,5-6,17-20,55-58H2,1-4H3
• InChIKey: SNOVMUFNYLGOOH-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 61.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1445.76
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine (CID 170371149) 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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine is CCOCCOc1ccc(C2(c3ccc(Oc4ccc5c(c4)CC5)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc(C)c(F)c6)c6ccc7c(c6)C(c6ccc(OCCOCC)cc6)(c6ccc(Oc8ccc9c(c8)CC9)cc6)c6ccccc6-7)cc5)cc4)c4ccc(C)c(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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine?

The InChIKey is SNOVMUFNYLGOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C100H82F2N2O6/c1-5-105-55-57-107-83-45-27-73(28-46-83)99(75-31-49-85(50-32-75)109-87-43-25-69-17-19-71(69)59-87)93-13-9-7-11-89(93)91-53-41-79(61-95(91)99)103(81-35-15-65(3)97(101)63-81)77-37-21-67(22-38-77)68-23-39-78(40-24-68)104(82-36-16-66(4)98(102)64-82)80-42-54-92-90-12-8-10-14-94(90)100(96(92)62-80,74-29-47-84(48-30-74)108-58-56-106-6-2)76-33-51-86(52-34-76)110-88-44-26-70-18-20-72(70)60-88/h7-16,21-54,59-64H,5-6,17-20,55-58H2,1-4H3.

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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine has a molecular weight of 1445.76 g/mol, XLogP of 24.53, 25 rotatable bonds, 0 hydrogen bond donors, and 8 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-(2-ethoxyethoxy)phenyl]fluoren-2-yl]-3-fluoro-4-methylanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-N-(3-fluoro-4-methylphenyl)fluoren-2-amine is sourced from PubChem (CID 170371149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).