N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

C82H62F2N2O2 — CID 167019779

About N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (PubChem CID 167019779) has the molecular formula C82H62F2N2O2 and a molecular weight of 1145.41 g/mol. Its IUPAC name is N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• PubChem CID: 167019779
• Molecular Formula: C82H62F2N2O2
• Molecular Weight: 1145.41 g/mol
• Exact Mass: 1144.48
• IUPAC Name: N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• SMILES: C=CCOc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(OCC=C)cc6)c6ccccc6-7)c6ccccc6F)cc5)cc4)c4ccccc4F)cc32)cc1
• InChI: InChI=1S/C82H62F2N2O2/c1-5-51-87-67-45-35-61(36-46-67)81(59-31-23-55(3)24-32-59)73-17-9-7-15-69(73)71-49-43-65(53-75(71)81)85(79-21-13-11-19-77(79)83)63-39-27-57(28-40-63)58-29-41-64(42-30-58)86(80-22-14-12-20-78(80)84)66-44-50-72-70-16-8-10-18-74(70)82(76(72)54-66,60-33-25-56(4)26-34-60)62-37-47-68(48-38-62)88-52-6-2/h5-50,53-54H,1-2,51-52H2,3-4H3
• InChIKey: KXOMSRGJIZWXGK-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 24.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1145.41
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The IUPAC name of N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (CID 167019779) is N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

What is the SMILES notation for N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The canonical SMILES for N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is C=CCOc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccc(C)cc6)(c6ccc(OCC=C)cc6)c6ccccc6-7)c6ccccc6F)cc5)cc4)c4ccccc4F)cc32)cc1.

What is the InChIKey of N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The InChIKey is KXOMSRGJIZWXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H62F2N2O2/c1-5-51-87-67-45-35-61(36-46-67)81(59-31-23-55(3)24-32-59)73-17-9-7-15-69(73)71-49-43-65(53-75(71)81)85(79-21-13-11-19-77(79)83)63-39-27-57(28-40-63)58-29-41-64(42-30-58)86(80-22-14-12-20-78(80)84)66-44-50-72-70-16-8-10-18-74(70)82(76(72)54-66,60-33-25-56(4)26-34-60)62-37-47-68(48-38-62)88-52-6-2/h5-50,53-54H,1-2,51-52H2,3-4H3.

What are the key properties of N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine has a molecular weight of 1145.41 g/mol, XLogP of 21.04, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(2-fluoro-N-[9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-(2-fluorophenyl)-9-(4-methylphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is sourced from PubChem (CID 167019779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).