7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine

C90H86F2N2O3 — CID 174319280

About 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine

7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine (PubChem CID 174319280) has the molecular formula C90H86F2N2O3 and a molecular weight of 1281.68 g/mol. Its IUPAC name is 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine.

Molecular Properties

• Compound Name: 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine
• PubChem CID: 174319280
• Molecular Formula: C90H86F2N2O3
• Molecular Weight: 1281.68 g/mol
• Exact Mass: 1280.66
• IUPAC Name: 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine
• SMILES: C=CC1=CCC(Oc2ccc(C3(C4=CCCC=C4)C4=C(C=CCC4)C4CCC(N(C5=CC6OC7CC(N(C8=CC9=C(CC8)C8=C(C=CCC8)C9(C8=CCC(Oc9ccc(C=C)cc9)C=C8)c8ccccc8)c8ccc(F)cc8)C=CC7C6C=C5)C5CC=C(F)CC5)=CC43)cc2)C=C1
• InChI: InChI=1S/C90H86F2N2O3/c1-3-59-23-43-73(44-24-59)95-75-47-27-63(28-48-75)89(61-15-7-5-8-16-61)83-21-13-11-19-77(83)79-51-39-69(55-85(79)89)93(67-35-31-65(91)32-36-67)71-41-53-81-82-54-42-72(58-88(82)97-87(81)57-71)94(68-37-33-66(92)34-38-68)70-40-52-80-78-20-12-14-22-84(78)90(86(80)56-70,62-17-9-6-10-18-62)64-29-49-76(50-30-64)96-74-45-25-60(4-2)26-46-74/h3-5,7-9,12-13,15-18,20-21,23-33,35-36,41-45,47,49-50,53-56,58,68,71,74-75,80-82,86-88H,1-2,6,10-11,14,19,22,34,37-40,46,48,51-52,57H2
• InChIKey: NVTKUQOJNGHOJX-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 34.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1281.68
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine?

The IUPAC name of 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine (CID 174319280) is 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine.

What is the SMILES notation for 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine?

The canonical SMILES for 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine is C=CC1=CCC(Oc2ccc(C3(C4=CCCC=C4)C4=C(C=CCC4)C4CCC(N(C5=CC6OC7CC(N(C8=CC9=C(CC8)C8=C(C=CCC8)C9(C8=CCC(Oc9ccc(C=C)cc9)C=C8)c8ccccc8)c8ccc(F)cc8)C=CC7C6C=C5)C5CC=C(F)CC5)=CC43)cc2)C=C1.

What is the InChIKey of 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine?

The InChIKey is NVTKUQOJNGHOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H86F2N2O3/c1-3-59-23-43-73(44-24-59)95-75-47-27-63(28-48-75)89(61-15-7-5-8-16-61)83-21-13-11-19-77(83)79-51-39-69(55-85(79)89)93(67-35-31-65(91)32-36-67)71-41-53-81-82-54-42-72(58-88(82)97-87(81)57-71)94(68-37-33-66(92)34-38-68)70-40-52-80-78-20-12-14-22-84(78)90(86(80)56-70,62-17-9-6-10-18-62)64-29-49-76(50-30-64)96-74-45-25-60(4-2)26-46-74/h3-5,7-9,12-13,15-18,20-21,23-33,35-36,41-45,47,49-50,53-56,58,68,71,74-75,80-82,86-88H,1-2,6,10-11,14,19,22,34,37-40,46,48,51-52,57H2.

What are the key properties of 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine?

7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine has a molecular weight of 1281.68 g/mol, XLogP of 21.28, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[9-cyclohexa-1,5-dien-1-yl-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxyphenyl]-3,4,4a,7,8,9a-hexahydrofluoren-2-yl]-3-N-[9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-9-phenyl-3,4,5,6-tetrahydrofluoren-2-yl]-7-N-(4-fluorocyclohex-3-en-1-yl)-3-N-(4-fluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine is sourced from PubChem (CID 174319280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).