7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine

C78H76F6N2O — CID 174319206

IUPAC7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine
SMILESC=CC1=CC=C(C2(C3C=CCCC3)C3=C(CCCC3)c3ccc(N(C4C=CC5C(C4)OC4C=C(N(c6ccc7c(c6)C(C6=CC=CCC6)(C6C=CC(C=C)CC6)C6=C7C=CCC6)c6cc(F)c(F)cc6F)C=CC45)C4CC(F)=C(F)CC4F)cc32)CC1
InChIInChI=1S/C78H76F6N2O/c1-3-47-23-27-51(28-24-47)77(49-15-7-5-8-16-49)63-21-13-11-19-57(63)59-35-31-53(39-65(59)77)85(73-45-69(81)67(79)43-71(73)83)55-33-37-61-62-38-34-56(42-76(62)87-75(61)41-55)86(74-46-70(82)68(80)44-72(74)84)54-32-36-60-58-20-12-14-22-64(58)78(66(60)40-54,50-17-9-6-10-18-50)52-29-25-48(4-2)26-30-52/h3-5,7,9,11,15,17,19,23,25,27,29,31-41,43,45,47,50-51,56,61-62,72,74-76H,1-2,6,8,10,12-14,16,18,20-22,24,26,28,30,42,44,46H2
InChIKeyUEEYVFIHXGOSJC-UHFFFAOYSA-N
MW1171.47 g/mol
LogP20.35
Rot. Bonds12

About 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine

7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine (PubChem CID 174319206) has the molecular formula C78H76F6N2O and a molecular weight of 1171.47 g/mol. Its IUPAC name is 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine.

Molecular Properties

Compound Name7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine
PubChem CID174319206
Molecular FormulaC78H76F6N2O
Molecular Weight1171.47 g/mol
Exact Mass1170.59
IUPAC Name7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine
SMILESC=CC1=CC=C(C2(C3C=CCCC3)C3=C(CCCC3)c3ccc(N(C4C=CC5C(C4)OC4C=C(N(c6ccc7c(c6)C(C6=CC=CCC6)(C6C=CC(C=C)CC6)C6=C7C=CCC6)c6cc(F)c(F)cc6F)C=CC45)C4CC(F)=C(F)CC4F)cc32)CC1
InChIInChI=1S/C78H76F6N2O/c1-3-47-23-27-51(28-24-47)77(49-15-7-5-8-16-49)63-21-13-11-19-57(63)59-35-31-53(39-65(59)77)85(73-45-69(81)67(79)43-71(73)83)55-33-37-61-62-38-34-56(42-76(62)87-75(61)41-55)86(74-46-70(82)68(80)44-72(74)84)54-32-36-60-58-20-12-14-22-64(58)78(66(60)40-54,50-17-9-6-10-18-50)52-29-25-48(4-2)26-30-52/h3-5,7,9,11,15,17,19,23,25,27,29,31-41,43,45,47,50-51,56,61-62,72,74-76H,1-2,6,8,10,12-14,16,18,20-22,24,26,28,30,42,44,46H2
InChIKeyUEEYVFIHXGOSJC-UHFFFAOYSA-N
XLogP20.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.47
LogP ≤ 520.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine?
The IUPAC name of 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine (CID 174319206) is 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine.
What is the SMILES notation for 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine?
The canonical SMILES for 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine is C=CC1=CC=C(C2(C3C=CCCC3)C3=C(CCCC3)c3ccc(N(C4C=CC5C(C4)OC4C=C(N(c6ccc7c(c6)C(C6=CC=CCC6)(C6C=CC(C=C)CC6)C6=C7C=CCC6)c6cc(F)c(F)cc6F)C=CC45)C4CC(F)=C(F)CC4F)cc32)CC1.
What is the InChIKey of 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine?
The InChIKey is UEEYVFIHXGOSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H76F6N2O/c1-3-47-23-27-51(28-24-47)77(49-15-7-5-8-16-49)63-21-13-11-19-57(63)59-35-31-53(39-65(59)77)85(73-45-69(81)67(79)43-71(73)83)55-33-37-61-62-38-34-56(42-76(62)87-75(61)41-55)86(74-46-70(82)68(80)44-72(74)84)54-32-36-60-58-20-12-14-22-64(58)78(66(60)40-54,50-17-9-6-10-18-50)52-29-25-48(4-2)26-30-52/h3-5,7,9,11,15,17,19,23,25,27,29,31-41,43,45,47,50-51,56,61-62,72,74-76H,1-2,6,8,10,12-14,16,18,20-22,24,26,28,30,42,44,46H2.
What are the key properties of 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine?
7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine has a molecular weight of 1171.47 g/mol, XLogP of 20.35, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[9-cyclohexa-1,3-dien-1-yl-9-(4-ethenylcyclohex-2-en-1-yl)-7,8-dihydrofluoren-2-yl]-3-N-[9-cyclohex-2-en-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(3,4,6-trifluorocyclohex-3-en-1-yl)-7-N-(2,4,5-trifluorophenyl)-3,4,4a,5a,9a,9b-hexahydrodibenzofuran-3,7-diamine is sourced from PubChem (CID 174319206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).