9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine

C78H76F2N2O — CID 174319086

About 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine

9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine (PubChem CID 174319086) has the molecular formula C78H76F2N2O and a molecular weight of 1095.47 g/mol. Its IUPAC name is 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine.

Molecular Properties

• Compound Name: 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine
• PubChem CID: 174319086
• Molecular Formula: C78H76F2N2O
• Molecular Weight: 1095.47 g/mol
• Exact Mass: 1094.59
• IUPAC Name: 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine
• SMILES: C=CC1=CCC(C2(C3CC=CCC3)c3cc(N(C4=CC=C(F)CC4)C4=CC=CC5OC6CCC=C(N(C7=CCC(F)CC7)c7ccc8c(c7)C(C7=CC=C(C=C)CC7)(c7ccccc7)C7C=CC=CC87)C6C45)ccc3C3C=CC=CC32)C=C1
• InChI: InChI=1S/C78H76F2N2O/c1-3-51-29-33-55(34-30-51)77(53-17-7-5-8-18-53)67-23-13-11-21-63(67)65-47-45-61(49-69(65)77)81(59-41-37-57(79)38-42-59)71-25-15-27-73-75(71)76-72(26-16-28-74(76)83-73)82(60-43-39-58(80)40-44-60)62-46-48-66-64-22-12-14-24-68(64)78(70(66)50-62,54-19-9-6-10-20-54)56-35-31-52(4-2)32-36-56/h3-9,11-14,16-18,21-26,28-29,31-33,35,39,41,43,45-50,54,56-57,63-64,67-68,73-76H,1-2,10,15,19-20,27,30,34,36-38,40,42,44H2
• InChIKey: UVWUQNBOAPFCMM-UHFFFAOYSA-N
• XLogP: 19.15
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1095.47
LogP ≤ 5	19.15
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-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine?

The IUPAC name of 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine (CID 174319086) is 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine.

What is the SMILES notation for 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine?

The canonical SMILES for 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine is C=CC1=CCC(C2(C3CC=CCC3)c3cc(N(C4=CC=C(F)CC4)C4=CC=CC5OC6CCC=C(N(C7=CCC(F)CC7)c7ccc8c(c7)C(C7=CC=C(C=C)CC7)(c7ccccc7)C7C=CC=CC87)C6C45)ccc3C3C=CC=CC32)C=C1.

What is the InChIKey of 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine?

The InChIKey is UVWUQNBOAPFCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H76F2N2O/c1-3-51-29-33-55(34-30-51)77(53-17-7-5-8-18-53)67-23-13-11-21-63(67)65-47-45-61(49-69(65)77)81(59-41-37-57(79)38-42-59)71-25-15-27-73-75(71)76-72(26-16-28-74(76)83-73)82(60-43-39-58(80)40-44-60)62-46-48-66-64-22-12-14-24-68(64)78(70(66)50-62,54-19-9-6-10-20-54)56-35-31-52(4-2)32-36-56/h3-9,11-14,16-18,21-26,28-29,31-33,35,39,41,43,45-50,54,56-57,63-64,67-68,73-76H,1-2,10,15,19-20,27,30,34,36-38,40,42,44H2.

What are the key properties of 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine?

9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine has a molecular weight of 1095.47 g/mol, XLogP of 19.15, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-N-[9-cyclohex-3-en-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,8a-dihydrofluoren-2-yl]-1-N-[9-(4-ethenylcyclohexa-1,3-dien-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-9-N-(4-fluorocyclohexa-1,3-dien-1-yl)-1-N-(4-fluorocyclohexen-1-yl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-1,9-diamine is sourced from PubChem (CID 174319086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).