2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine

C90H86F2N2O — CID 174319087

About 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine

2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine (PubChem CID 174319087) has the molecular formula C90H86F2N2O and a molecular weight of 1249.69 g/mol. Its IUPAC name is 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine.

Molecular Properties

• Compound Name: 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine
• PubChem CID: 174319087
• Molecular Formula: C90H86F2N2O
• Molecular Weight: 1249.69 g/mol
• Exact Mass: 1248.67
• IUPAC Name: 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine
• SMILES: C=CC1C=CC(C2(c3ccccc3)C3C=CC=CC3C3C=CC(c4cccc(N(C5=CC6=C(CC5)OC5C=CC(N(C7=CC(C8=CC9C(CC8)c8ccccc8C9(c8ccccc8)C8C=CC(C=C)CC8)CC=C7)C7C=CC(F)=CC7)=CC65)C5=CCC(F)CC5)c4)=CC32)=CC1
• InChI: InChI=1S/C90H86F2N2O/c1-3-59-29-35-67(36-30-59)89(65-19-7-5-8-20-65)83-27-13-11-25-77(83)79-49-33-63(55-85(79)89)61-17-15-23-73(53-61)93(71-43-39-69(91)40-44-71)75-47-51-87-81(57-75)82-58-76(48-52-88(82)95-87)94(72-45-41-70(92)42-46-72)74-24-16-18-62(54-74)64-34-50-80-78-26-12-14-28-84(78)90(86(80)56-64,66-21-9-6-10-22-66)68-37-31-60(4-2)32-38-68/h3-17,19-29,31,33,35-37,41-43,45,48-49,52-60,62,68-69,72,77,79-80,82-83,85-86,88H,1-2,18,30,32,34,38-40,44,46-47,50-51H2
• InChIKey: VJBLZXUBZSVMEI-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1249.69
LogP ≤ 5	21.62
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-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine?

The IUPAC name of 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine (CID 174319087) is 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine.

What is the SMILES notation for 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine?

The canonical SMILES for 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine is C=CC1C=CC(C2(c3ccccc3)C3C=CC=CC3C3C=CC(c4cccc(N(C5=CC6=C(CC5)OC5C=CC(N(C7=CC(C8=CC9C(CC8)c8ccccc8C9(c8ccccc8)C8C=CC(C=C)CC8)CC=C7)C7C=CC(F)=CC7)=CC65)C5=CCC(F)CC5)c4)=CC32)=CC1.

What is the InChIKey of 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine?

The InChIKey is VJBLZXUBZSVMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H86F2N2O/c1-3-59-29-35-67(36-30-59)89(65-19-7-5-8-20-65)83-27-13-11-25-77(83)79-49-33-63(55-85(79)89)61-17-15-23-73(53-61)93(71-43-39-69(91)40-44-71)75-47-51-87-81(57-75)82-58-76(48-52-88(82)95-87)94(72-45-41-70(92)42-46-72)74-24-16-18-62(54-74)64-34-50-80-78-26-12-14-28-84(78)90(86(80)56-64,66-21-9-6-10-22-66)68-37-31-60(4-2)32-38-68/h3-17,19-29,31,33,35-37,41-43,45,48-49,52-60,62,68-69,72,77,79-80,82-83,85-86,88H,1-2,18,30,32,34,38-40,44,46-47,50-51H2.

What are the key properties of 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine?

2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine has a molecular weight of 1249.69 g/mol, XLogP of 21.62, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[3-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-4a,4b,8a,9a-tetrahydrofluoren-2-yl]phenyl]-8-N-[3-[9-(4-ethenylcyclohex-2-en-1-yl)-9-phenyl-3,4,4a,9a-tetrahydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-8-N-(4-fluorocyclohexa-2,4-dien-1-yl)-2-N-(4-fluorocyclohexen-1-yl)-3,4,5a,9a-tetrahydrodibenzofuran-2,8-diamine is sourced from PubChem (CID 174319087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).