2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine

C82H86F4N2O — CID 174319144

About 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine

2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine (PubChem CID 174319144) has the molecular formula C82H86F4N2O and a molecular weight of 1191.59 g/mol. Its IUPAC name is 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine.

Molecular Properties

• Compound Name: 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine
• PubChem CID: 174319144
• Molecular Formula: C82H86F4N2O
• Molecular Weight: 1191.59 g/mol
• Exact Mass: 1190.67
• IUPAC Name: 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine
• SMILES: C=CC1=CCC(C2(C3CC(C)=CC=C3C)C3=C(C=CCC3)C3=C2CC(N(C2=CC4C(C=C2)OC2CCC(N(C5=CC(F)=C(F)CC5)c5ccc6c(c5)C(C5=CCC(C=C)CC5)(C5CC(C)=CC=C5C)C5CCC=CC65)=CC24)C2=CC=C(F)C(F)C2)C=C3)C=C1
• InChI: InChI=1S/C82H86F4N2O/c1-7-53-21-25-55(26-22-53)81(71-41-49(3)17-19-51(71)5)69-15-11-9-13-63(69)65-35-29-59(45-73(65)81)87(61-31-37-75(83)77(85)47-61)57-33-39-79-67(43-57)68-44-58(34-40-80(68)89-79)88(62-32-38-76(84)78(86)48-62)60-30-36-66-64-14-10-12-16-70(64)82(74(66)46-60,56-27-23-54(8-2)24-28-56)72-42-50(4)18-20-52(72)6/h7-10,13-14,17-22,25,27,29-31,33,35-37,39,43-44,46,48,54-55,59,64,67-68,70-72,77,79-80H,1-2,11-12,15-16,23-24,26,28,32,34,38,40-42,45,47H2,3-6H3
• InChIKey: GGGZLLLJNBYKOC-UHFFFAOYSA-N
• XLogP: 21.23
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1191.59
LogP ≤ 5	21.23
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-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine?

The IUPAC name of 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine (CID 174319144) is 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine.

What is the SMILES notation for 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine?

The canonical SMILES for 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine is C=CC1=CCC(C2(C3CC(C)=CC=C3C)C3=C(C=CCC3)C3=C2CC(N(C2=CC4C(C=C2)OC2CCC(N(C5=CC(F)=C(F)CC5)c5ccc6c(c5)C(C5=CCC(C=C)CC5)(C5CC(C)=CC=C5C)C5CCC=CC65)=CC24)C2=CC=C(F)C(F)C2)C=C3)C=C1.

What is the InChIKey of 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine?

The InChIKey is GGGZLLLJNBYKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H86F4N2O/c1-7-53-21-25-55(26-22-53)81(71-41-49(3)17-19-51(71)5)69-15-11-9-13-63(69)65-35-29-59(45-73(65)81)87(61-31-37-75(83)77(85)47-61)57-33-39-79-67(43-57)68-44-58(34-40-80(68)89-79)88(62-32-38-76(84)78(86)48-62)60-30-36-66-64-14-10-12-16-70(64)82(74(66)46-60,56-27-23-54(8-2)24-28-56)72-42-50(4)18-20-52(72)6/h7-10,13-14,17-22,25,27,29-31,33,35-37,39,43-44,46,48,54-55,59,64,67-68,70-72,77,79-80H,1-2,11-12,15-16,23-24,26,28,32,34,38,40-42,45,47H2,3-6H3.

What are the key properties of 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine?

2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine has a molecular weight of 1191.59 g/mol, XLogP of 21.23, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-(3,4-difluorocyclohexa-1,3-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-1,2,7,8-tetrahydrofluoren-2-yl]-2-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexen-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-2,8-diamine is sourced from PubChem (CID 174319144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).