9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine

C78H60F4N2O — CID 174319090

About 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine

9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine (PubChem CID 174319090) has the molecular formula C78H60F4N2O and a molecular weight of 1117.34 g/mol. Its IUPAC name is 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine.

Molecular Properties

• Compound Name: 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine
• PubChem CID: 174319090
• Molecular Formula: C78H60F4N2O
• Molecular Weight: 1117.34 g/mol
• Exact Mass: 1116.46
• IUPAC Name: 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine
• SMILES: C=Cc1ccc(C2(c3ccc(F)cc3)C3=C(C=CC(N(C4=CC=CC5Oc6cccc(N(c7ccc(F)cc7)C7C=CC8=C(C7)C(C7=CCC(F)C=C7)(C7=CCC(C=C)C=C7)c7ccccc78)c6C45)c4ccc(F)cc4)C3)c3ccccc32)cc1
• InChI: InChI=1S/C78H60F4N2O/c1-3-49-19-23-51(24-20-49)77(53-27-31-55(79)32-28-53)67-13-7-5-11-63(67)65-45-43-61(47-69(65)77)83(59-39-35-57(81)36-40-59)71-15-9-17-73-75(71)76-72(16-10-18-74(76)85-73)84(60-41-37-58(82)38-42-60)62-44-46-66-64-12-6-8-14-68(64)78(70(66)48-62,54-29-33-56(80)34-30-54)52-25-21-50(4-2)22-26-52/h3-21,23-33,35-46,50,56,61-62,73,75H,1-2,22,34,47-48H2
• InChIKey: KDJJSFMKVKTNRN-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1117.34
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine?

The IUPAC name of 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine (CID 174319090) is 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine.

What is the SMILES notation for 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine?

The canonical SMILES for 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine is C=Cc1ccc(C2(c3ccc(F)cc3)C3=C(C=CC(N(C4=CC=CC5Oc6cccc(N(c7ccc(F)cc7)C7C=CC8=C(C7)C(C7=CCC(F)C=C7)(C7=CCC(C=C)C=C7)c7ccccc78)c6C45)c4ccc(F)cc4)C3)c3ccccc32)cc1.

What is the InChIKey of 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine?

The InChIKey is KDJJSFMKVKTNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60F4N2O/c1-3-49-19-23-51(24-20-49)77(53-27-31-55(79)32-28-53)67-13-7-5-11-63(67)65-45-43-61(47-69(65)77)83(59-39-35-57(81)36-40-59)71-15-9-17-73-75(71)76-72(16-10-18-74(76)85-73)84(60-41-37-58(82)38-42-60)62-44-46-66-64-12-6-8-14-68(64)78(70(66)48-62,54-29-33-56(80)34-30-54)52-25-21-50(4-2)22-26-52/h3-21,23-33,35-46,50,56,61-62,73,75H,1-2,22,34,47-48H2.

What are the key properties of 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine?

9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine has a molecular weight of 1117.34 g/mol, XLogP of 18.77, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexa-1,5-dien-1-yl)-1,2-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylphenyl)-9-(4-fluorophenyl)-1,2-dihydrofluoren-2-yl]-1-N,9-N-bis(4-fluorophenyl)-4a,9b-dihydrodibenzofuran-1,9-diamine is sourced from PubChem (CID 174319090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).