3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine

C82H84F4N2O — CID 174319136

About 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine

3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine (PubChem CID 174319136) has the molecular formula C82H84F4N2O and a molecular weight of 1189.58 g/mol. Its IUPAC name is 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine.

Molecular Properties

• Compound Name: 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine
• PubChem CID: 174319136
• Molecular Formula: C82H84F4N2O
• Molecular Weight: 1189.58 g/mol
• Exact Mass: 1188.65
• IUPAC Name: 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine
• SMILES: C=CC1=CCC(C2(C3=CC(C)CC=C3C)C3=C(CCC(N(C4=CC5OC6=C(C=CC(N(C7=CCC(F)C=C7F)c7ccc8c(c7)C(C7=CCC(C=C)C=C7)(C7=CC(C)CCC7C)C7=C8C=CCC7)C6)C5C=C4)C4C=CC(F)=CC4F)=C3)C3=C2CCC=C3)CC1
• InChI: InChI=1S/C82H84F4N2O/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)65-35-31-59(45-73(65)81)87(77-39-29-57(83)43-75(77)85)61-33-37-67-68-38-34-62(48-80(68)89-79(67)47-61)88(78-40-30-58(84)44-76(78)86)60-32-36-66-64-14-10-12-16-70(64)82(74(66)46-60,56-27-23-54(8-2)24-28-56)72-42-50(4)18-20-52(72)6/h7-10,13-14,19,21,23,27-29,32-34,36-47,49-50,52,54-55,58,62,67,75,77,79H,1-2,11-12,15-18,20,22,24-26,30-31,35,48H2,3-6H3
• InChIKey: JTWDBVPPEZUWKY-UHFFFAOYSA-N
• XLogP: 20.94
• 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	1189.58
LogP ≤ 5	20.94
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 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine?

The IUPAC name of 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine (CID 174319136) is 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine.

What is the SMILES notation for 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine?

The canonical SMILES for 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine is C=CC1=CCC(C2(C3=CC(C)CC=C3C)C3=C(CCC(N(C4=CC5OC6=C(C=CC(N(C7=CCC(F)C=C7F)c7ccc8c(c7)C(C7=CCC(C=C)C=C7)(C7=CC(C)CCC7C)C7=C8C=CCC7)C6)C5C=C4)C4C=CC(F)=CC4F)=C3)C3=C2CCC=C3)CC1.

What is the InChIKey of 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine?

The InChIKey is JTWDBVPPEZUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H84F4N2O/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)65-35-31-59(45-73(65)81)87(77-39-29-57(83)43-75(77)85)61-33-37-67-68-38-34-62(48-80(68)89-79(67)47-61)88(78-40-30-58(84)44-76(78)86)60-32-36-66-64-14-10-12-16-70(64)82(74(66)46-60,56-27-23-54(8-2)24-28-56)72-42-50(4)18-20-52(72)6/h7-10,13-14,19,21,23,27-29,32-34,36-47,49-50,52,54-55,58,62,67,75,77,79H,1-2,11-12,15-18,20,22,24-26,30-31,35,48H2,3-6H3.

What are the key properties of 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine?

3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine has a molecular weight of 1189.58 g/mol, XLogP of 20.94, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-(4,6-difluorocyclohexa-1,5-dien-1-yl)-7-N-(4,6-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-(4-ethenylcyclohex-3-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(3,6-dimethylcyclohexen-1-yl)-9-(4-ethenylcyclohexa-1,5-dien-1-yl)-7,8-dihydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine is sourced from PubChem (CID 174319136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).