6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine

C82H82F4N2O — CID 174319145

About 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine

6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine (PubChem CID 174319145) has the molecular formula C82H82F4N2O and a molecular weight of 1187.56 g/mol. Its IUPAC name is 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine.

Molecular Properties

• Compound Name: 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine
• PubChem CID: 174319145
• Molecular Formula: C82H82F4N2O
• Molecular Weight: 1187.56 g/mol
• Exact Mass: 1186.64
• IUPAC Name: 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine
• SMILES: C=CC1=CCC(C2(C3CC(C)=CC=C3C)c3ccccc3-c3ccc(N(C4=CCC(F)C(F)=C4)C4=CC=CC5C4OC4C(N(C6C=CC7c8ccccc8C(C8=CCC(C=C)C=C8)(C8CC(C)=CC=C8C)C7C6)C6CCC(F)=C(F)C6)=CC=CC45)cc32)CC1
• InChI: InChI=1S/C82H82F4N2O/c1-7-53-27-31-55(32-28-53)81(69-43-49(3)23-25-51(69)5)67-19-11-9-15-61(67)63-39-35-57(45-71(63)81)87(59-37-41-73(83)75(85)47-59)77-21-13-17-65-66-18-14-22-78(80(66)89-79(65)77)88(60-38-42-74(84)76(86)48-60)58-36-40-64-62-16-10-12-20-68(62)82(72(64)46-58,56-33-29-54(8-2)30-34-56)70-44-50(4)24-26-52(70)6/h7-27,29,31-32,35-36,38-40,46,48,53,56-57,59,63,65-66,69-71,74,79-80H,1-2,28,30,33-34,37,41-45,47H2,3-6H3
• InChIKey: MTIQCDCOYFJAJH-UHFFFAOYSA-N
• XLogP: 20.56
• 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	1187.56
LogP ≤ 5	20.56
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 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine?

The IUPAC name of 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine (CID 174319145) is 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine.

What is the SMILES notation for 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine?

The canonical SMILES for 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine is C=CC1=CCC(C2(C3CC(C)=CC=C3C)c3ccccc3-c3ccc(N(C4=CCC(F)C(F)=C4)C4=CC=CC5C4OC4C(N(C6C=CC7c8ccccc8C(C8=CCC(C=C)C=C8)(C8CC(C)=CC=C8C)C7C6)C6CCC(F)=C(F)C6)=CC=CC45)cc32)CC1.

What is the InChIKey of 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine?

The InChIKey is MTIQCDCOYFJAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H82F4N2O/c1-7-53-27-31-55(32-28-53)81(69-43-49(3)23-25-51(69)5)67-19-11-9-15-61(67)63-39-35-57(45-71(63)81)87(59-37-41-73(83)75(85)47-59)77-21-13-17-65-66-18-14-22-78(80(66)89-79(65)77)88(60-38-42-74(84)76(86)48-60)58-36-40-64-62-16-10-12-20-68(62)82(72(64)46-58,56-33-29-54(8-2)30-34-56)70-44-50(4)24-26-52(70)6/h7-27,29,31-32,35-36,38-40,46,48,53,56-57,59,63,65-66,69-71,74,79-80H,1-2,28,30,33-34,37,41-45,47H2,3-6H3.

What are the key properties of 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine?

6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine has a molecular weight of 1187.56 g/mol, XLogP of 20.56, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-4-N-(3,4-difluorocyclohex-3-en-1-yl)-4-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-1,2,4a,9a-tetrahydrofluoren-2-yl]-6-N-[9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)fluoren-2-yl]-4a,5a,9a,9b-tetrahydrodibenzofuran-4,6-diamine is sourced from PubChem (CID 174319145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).