2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine

C78H68F4N2O — CID 174319139

About 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine

2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine (PubChem CID 174319139) has the molecular formula C78H68F4N2O and a molecular weight of 1125.41 g/mol. Its IUPAC name is 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine.

Molecular Properties

• Compound Name: 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine
• PubChem CID: 174319139
• Molecular Formula: C78H68F4N2O
• Molecular Weight: 1125.41 g/mol
• Exact Mass: 1124.53
• IUPAC Name: 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine
• SMILES: C=CC1=CCC(C2(C3C=CC=CC3)C3=C(C=CCC3)C3C=CC(N(C4=CC5c6cc(N(C7=C(F)CC(F)C=C7)c7ccc8c(c7)C(C7=CCC(C=C)CC7)(c7ccccc7)C7C=CC=CC87)ccc6OC5C=C4)c4ccc(F)cc4F)=CC32)C=C1
• InChI: InChI=1S/C78H68F4N2O/c1-3-49-23-27-53(28-24-49)77(51-15-7-5-8-16-51)67-21-13-11-19-61(67)63-37-33-59(47-69(63)77)83(73-39-31-55(79)43-71(73)81)57-35-41-75-65(45-57)66-46-58(36-42-76(66)85-75)84(74-40-32-56(80)44-72(74)82)60-34-38-64-62-20-12-14-22-68(62)78(70(64)48-60,52-17-9-6-10-18-52)54-29-25-50(4-2)26-30-54/h3-13,15-17,19-21,25-27,29,31-42,44-49,52,54-55,61,64,66-67,70,76H,1-2,14,18,22-24,28,30,43H2
• InChIKey: FRSVSYVMGBFYMD-UHFFFAOYSA-N
• XLogP: 19.58
• 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	1125.41
LogP ≤ 5	19.58
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 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine?

The IUPAC name of 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine (CID 174319139) is 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine.

What is the SMILES notation for 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine?

The canonical SMILES for 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine is C=CC1=CCC(C2(C3C=CC=CC3)C3=C(C=CCC3)C3C=CC(N(C4=CC5c6cc(N(C7=C(F)CC(F)C=C7)c7ccc8c(c7)C(C7=CCC(C=C)CC7)(c7ccccc7)C7C=CC=CC87)ccc6OC5C=C4)c4ccc(F)cc4F)=CC32)C=C1.

What is the InChIKey of 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine?

The InChIKey is FRSVSYVMGBFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H68F4N2O/c1-3-49-23-27-53(28-24-49)77(51-15-7-5-8-16-51)67-21-13-11-19-61(67)63-37-33-59(47-69(63)77)83(73-39-31-55(79)43-71(73)81)57-35-41-75-65(45-57)66-46-58(36-42-76(66)85-75)84(74-40-32-56(80)44-72(74)82)60-34-38-64-62-20-12-14-22-68(62)78(70(64)48-60,52-17-9-6-10-18-52)54-29-25-50(4-2)26-30-54/h3-13,15-17,19-21,25-27,29,31-42,44-49,52,54-55,61,64,66-67,70,76H,1-2,14,18,22-24,28,30,43H2.

What are the key properties of 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine?

2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine has a molecular weight of 1125.41 g/mol, XLogP of 19.58, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine is sourced from PubChem (CID 174319139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).