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

C78H72F6N2O — CID 174319203

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

7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine (PubChem CID 174319203) has the molecular formula C78H72F6N2O and a molecular weight of 1167.43 g/mol. Its IUPAC name is 7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine.

Molecular Properties

• Compound Name: 7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine
• PubChem CID: 174319203
• Molecular Formula: C78H72F6N2O
• Molecular Weight: 1167.43 g/mol
• Exact Mass: 1166.55
• IUPAC Name: 7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine
• SMILES: C=CC1=CCC(C2(c3ccc(F)cc3)C3=C(C=CCC3)C3C=CC(N(C4C=CC(F)=C(F)C4)C4C=CC5=C(C4)OC4C=C(N(C6=CCC(F)C(F)=C6)C6=CC7=C(CC6)c6ccccc6C7(C6=CCC(C=C)C=C6)C6=CCC(F)CC6)C=CC54)=CC32)CC1
• InChI: InChI=1S/C78H72F6N2O/c1-3-47-13-17-49(18-14-47)77(51-21-25-53(79)26-22-51)67-11-7-5-9-61(67)63-35-29-55(41-69(63)77)85(57-33-39-71(81)73(83)43-57)59-31-37-65-66-38-32-60(46-76(66)87-75(65)45-59)86(58-34-40-72(82)74(84)44-58)56-30-36-64-62-10-6-8-12-68(62)78(70(64)42-56,52-23-27-54(80)28-24-52)50-19-15-48(4-2)16-20-50/h3-7,9-11,13,15,17-18,21,23-24,27-28,30-34,36-38,40-43,45,47,50,53,58,60,64-65,70-71,75H,1-2,8,12,14,16,19-20,22,25-26,29,35,39,44,46H2
• InChIKey: MFINWYMSHMXXEK-UHFFFAOYSA-N
• XLogP: 19.46
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1167.43
LogP ≤ 5	19.46
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 7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine?

The IUPAC name of 7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine (CID 174319203) is 7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine.

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

The canonical SMILES for 7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine is C=CC1=CCC(C2(c3ccc(F)cc3)C3=C(C=CCC3)C3C=CC(N(C4C=CC(F)=C(F)C4)C4C=CC5=C(C4)OC4C=C(N(C6=CCC(F)C(F)=C6)C6=CC7=C(CC6)c6ccccc6C7(C6=CCC(C=C)C=C6)C6=CCC(F)CC6)C=CC54)=CC32)CC1.

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

The InChIKey is MFINWYMSHMXXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H72F6N2O/c1-3-47-13-17-49(18-14-47)77(51-21-25-53(79)26-22-51)67-11-7-5-9-61(67)63-35-29-55(41-69(63)77)85(57-33-39-71(81)73(83)43-57)59-31-37-65-66-38-32-60(46-76(66)87-75(65)45-59)86(58-34-40-72(82)74(84)44-58)56-30-36-64-62-10-6-8-12-68(62)78(70(64)42-56,52-23-27-54(80)28-24-52)50-19-15-48(4-2)16-20-50/h3-7,9-11,13,15,17-18,21,23-24,27-28,30-34,36-38,40-43,45,47,50,53,58,60,64-65,70-71,75H,1-2,8,12,14,16,19-20,22,25-26,29,35,39,44,46H2.

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

7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine has a molecular weight of 1167.43 g/mol, XLogP of 19.46, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-(4,5-difluorocyclohexa-1,5-dien-1-yl)-3-N-(4,5-difluorocyclohexa-2,4-dien-1-yl)-7-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohexen-1-yl)-3,4-dihydrofluoren-2-yl]-3-N-[9-(4-ethenylcyclohex-3-en-1-yl)-9-(4-fluorophenyl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-3,4,5a,9a-tetrahydrodibenzofuran-3,7-diamine is sourced from PubChem (CID 174319203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).