2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine

C102H92F6N2O — CID 174319648

About 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine

2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine (PubChem CID 174319648) has the molecular formula C102H92F6N2O and a molecular weight of 1475.86 g/mol. Its IUPAC name is 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine.

Molecular Properties

• Compound Name: 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine
• PubChem CID: 174319648
• Molecular Formula: C102H92F6N2O
• Molecular Weight: 1475.86 g/mol
• Exact Mass: 1474.71
• IUPAC Name: 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine
• SMILES: C=CC1=CCC(C2(C3=CC=CCC3)c3cc(C4C=CC(N(C5=CC6c7cc(N(C8=CCC(c9ccc%10c(c9)C(C9=CCC(C=C)C=C9)(c9ccccc9)C9=C%10C=CCC9)C=C8)C8=CC(F)=C(C9=CC=C(F)CC9)CC8F)ccc7OC6CC5)C5=CC(F)=C(c6ccc(F)cc6)CC5F)CC4)ccc3C3C=CCCC32)C=C1
• InChI: InChI=1S/C102H92F6N2O/c1-3-63-23-37-73(38-24-63)101(71-15-7-5-8-16-71)89-21-13-11-19-81(89)83-51-35-69(55-91(83)101)65-31-45-77(46-32-65)109(97-61-93(105)85(59-95(97)107)67-27-41-75(103)42-28-67)79-49-53-99-87(57-79)88-58-80(50-54-100(88)111-99)110(98-62-94(106)86(60-96(98)108)68-29-43-76(104)44-30-68)78-47-33-66(34-48-78)70-36-52-84-82-20-12-14-22-90(82)102(92(84)56-70,72-17-9-6-10-18-72)74-39-25-64(4-2)26-40-74/h3-9,11-12,15-17,19-20,23,25-27,29-31,33,35-39,41,43-47,49,51-53,55-58,61-63,65-66,74,78,82,88,90,95-96,100H,1-2,10,13-14,18,21-22,24,28,32,34,40,42,48,50,54,59-60H2
• InChIKey: XNYSHWUXBTXBKD-UHFFFAOYSA-N
• XLogP: 26.37
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1475.86
LogP ≤ 5	26.37
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-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine?

The IUPAC name of 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine (CID 174319648) is 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine.

What is the SMILES notation for 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine?

The canonical SMILES for 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine is C=CC1=CCC(C2(C3=CC=CCC3)c3cc(C4C=CC(N(C5=CC6c7cc(N(C8=CCC(c9ccc%10c(c9)C(C9=CCC(C=C)C=C9)(c9ccccc9)C9=C%10C=CCC9)C=C8)C8=CC(F)=C(C9=CC=C(F)CC9)CC8F)ccc7OC6CC5)C5=CC(F)=C(c6ccc(F)cc6)CC5F)CC4)ccc3C3C=CCCC32)C=C1.

What is the InChIKey of 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine?

The InChIKey is XNYSHWUXBTXBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H92F6N2O/c1-3-63-23-37-73(38-24-63)101(71-15-7-5-8-16-71)89-21-13-11-19-81(89)83-51-35-69(55-91(83)101)65-31-45-77(46-32-65)109(97-61-93(105)85(59-95(97)107)67-27-41-75(103)42-28-67)79-49-53-99-87(57-79)88-58-80(50-54-100(88)111-99)110(98-62-94(106)86(60-96(98)108)68-29-43-76(104)44-30-68)78-47-33-66(34-48-78)70-36-52-84-82-20-12-14-22-90(82)102(92(84)56-70,72-17-9-6-10-18-72)74-39-25-64(4-2)26-40-74/h3-9,11-12,15-17,19-20,23,25-27,29-31,33,35-39,41,43-47,49,51-53,55-58,61-63,65-66,74,78,82,88,90,95-96,100H,1-2,10,13-14,18,21-22,24,28,32,34,40,42,48,50,54,59-60H2.

What are the key properties of 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine?

2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine has a molecular weight of 1475.86 g/mol, XLogP of 26.37, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4b,7,8,8a-tetrahydrofluoren-2-yl]cyclohex-2-en-1-yl]-8-N-[3,6-difluoro-4-(4-fluorocyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-2-N-[3,6-difluoro-4-(4-fluorophenyl)cyclohexa-1,3-dien-1-yl]-8-N-[4-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-phenyl-7,8-dihydrofluoren-2-yl]cyclohexa-1,5-dien-1-yl]-3,4,4a,9b-tetrahydrodibenzofuran-2,8-diamine is sourced from PubChem (CID 174319648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).