7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine

C78H76F4N2O — CID 174319146

IUPAC7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine
SMILESC=CC1=CC=C(C2(C3=CCCC=C3)C3=C(C=CCC3)C3=C2CC(N(c2ccc(F)c(F)c2)c2ccc4c(c2)OC2C=C(N(C5=CC6=C(CC5)C5=C(CCC=C5)C6(C5=CCCCC5)C5C=CC(C=C)CC5)C5=CC=C(F)C(F)C5)C=CC42)CC3)CC1
InChIInChI=1S/C78H76F4N2O/c1-3-49-23-27-53(28-24-49)77(51-15-7-5-8-16-51)67-21-13-11-19-61(67)63-37-31-55(43-69(63)77)83(57-35-41-71(79)73(81)45-57)59-33-39-65-66-40-34-60(48-76(66)85-75(65)47-59)84(58-36-42-72(80)74(82)46-58)56-32-38-64-62-20-12-14-22-68(62)78(70(64)44-56,52-17-9-6-10-18-52)54-29-25-50(4-2)26-30-54/h3-4,7,11-12,15-17,19-20,23,25,27,29,33-36,39-42,44-45,47-48,50,54-55,66,74,76H,1-2,5-6,8-10,13-14,18,21-22,24,26,28,30-32,37-38,43,46H2
InChIKeyZRSSZOHYZLUYQV-UHFFFAOYSA-N
MW1133.47 g/mol
LogP20.68
Rot. Bonds12

About 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine

7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine (PubChem CID 174319146) has the molecular formula C78H76F4N2O and a molecular weight of 1133.47 g/mol. Its IUPAC name is 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine.

Molecular Properties

Compound Name7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine
PubChem CID174319146
Molecular FormulaC78H76F4N2O
Molecular Weight1133.47 g/mol
Exact Mass1132.59
IUPAC Name7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine
SMILESC=CC1=CC=C(C2(C3=CCCC=C3)C3=C(C=CCC3)C3=C2CC(N(c2ccc(F)c(F)c2)c2ccc4c(c2)OC2C=C(N(C5=CC6=C(CC5)C5=C(CCC=C5)C6(C5=CCCCC5)C5C=CC(C=C)CC5)C5=CC=C(F)C(F)C5)C=CC42)CC3)CC1
InChIInChI=1S/C78H76F4N2O/c1-3-49-23-27-53(28-24-49)77(51-15-7-5-8-16-51)67-21-13-11-19-61(67)63-37-31-55(43-69(63)77)83(57-35-41-71(79)73(81)45-57)59-33-39-65-66-40-34-60(48-76(66)85-75(65)47-59)84(58-36-42-72(80)74(82)46-58)56-32-38-64-62-20-12-14-22-68(62)78(70(64)44-56,52-17-9-6-10-18-52)54-29-25-50(4-2)26-30-54/h3-4,7,11-12,15-17,19-20,23,25,27,29,33-36,39-42,44-45,47-48,50,54-55,66,74,76H,1-2,5-6,8-10,13-14,18,21-22,24,26,28,30-32,37-38,43,46H2
InChIKeyZRSSZOHYZLUYQV-UHFFFAOYSA-N
XLogP20.68
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.47
LogP ≤ 520.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine with MolForge

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Related Compounds

N-[4-(cyclohexen-1-yl)cyclohexen-1-yl]-9-(2,5-dimethylcyclohexa-2,4-dien-1-yl)-N-[4-[4-[[9-(3,6-dimethylcyclohexa-2,4-dien-1-yl)-9-(4-ethenylphenyl)-3,4,5,6-tetrahydrofluoren-2-yl]-(4-phenylcyclohex-3-en-1-yl)amino]-2-fluorocyclohexa-2,4-dien-1-yl]-3-fluorocyclohexa-1,5-dien-1-yl]-9-(4-ethenylphenyl)-4b,7,8,8a-tetrahydrofluoren-2-amine
CID 166648068
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
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
2-N,2-N-diphenyl-7-N-spiro[1,2-dihydrofluorene-9,9'-fluorene]-4'-yl-4a,9b-dihydrodibenzofuran-2,7-diamine
CID 129194396
2-N-[9-cyclohexa-2,4-dien-1-yl-9-(4-ethenylcyclohexa-2,4-dien-1-yl)-4a,7,8,9a-tetrahydrofluoren-2-yl]-8-N-(2,4-difluorocyclohexa-1,5-dien-1-yl)-2-N-(2,4-difluorophenyl)-8-N-[9-(4-ethenylcyclohexen-1-yl)-9-phenyl-4b,8a-dihydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-2,8-diamine
CID 174319139
N-(9-cyclohexa-1,5-dien-1-yl-9-phenyl-3,4-dihydrofluoren-2-yl)-9,9-dimethyl-N-(2-phenylphenyl)-7-(4-phenylphenyl)fluoren-2-amine
CID 178165565
7-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(2,3-dihydrodibenzothiophen-4-yl)cyclohexa-1,3-dien-1-yl]-7-phenyl-4a,12a-dihydrofluoreno[5,6-b][1]benzofuran-9-amine
CID 87689631
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-3-amine
CID 118963240
2-N-(3,4-difluorocyclohexa-1,5-dien-1-yl)-8-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-8-N-[9-(4-ethenylcyclohexa-2,4-dien-1-yl)-9-(4-fluorocyclohexa-2,4-dien-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-2-N-[9-(4-ethenylcyclohexa-1,5-dien-1-yl)-9-(4-fluorocyclohex-3-en-1-yl)-4a,4b,8a,9a-tetrahydrofluoren-2-yl]-5,5-dimethylbenzo[b][1]benzosilole-2,8-diamine
CID 174318771
2-N,7-N-bis(3,4-difluorophenyl)-9,9-diphenyl-2-N-(9-phenylcarbazol-3-yl)-7-N-(9-phenyl-1,2-dihydrocarbazol-3-yl)fluorene-2,7-diamine
CID 89223638
N-(3,4-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]-N-[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenylfluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-7,9-diphenylfluoren-2-amine
CID 163451957
2-N-cyclohexa-1,3-dien-1-yl-7-N-(cyclohexen-1-yl)-2'-methyl-2-N,7-N-diphenylspiro[4,4a-dihydrofluorene-9,9'-fluorene]-2,7-diamine
CID 142961443

Frequently Asked Questions

What is the IUPAC name of 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine?
The IUPAC name of 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine (CID 174319146) is 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine.
What is the SMILES notation for 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine?
The canonical SMILES for 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine is C=CC1=CC=C(C2(C3=CCCC=C3)C3=C(C=CCC3)C3=C2CC(N(c2ccc(F)c(F)c2)c2ccc4c(c2)OC2C=C(N(C5=CC6=C(CC5)C5=C(CCC=C5)C6(C5=CCCCC5)C5C=CC(C=C)CC5)C5=CC=C(F)C(F)C5)C=CC42)CC3)CC1.
What is the InChIKey of 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine?
The InChIKey is ZRSSZOHYZLUYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H76F4N2O/c1-3-49-23-27-53(28-24-49)77(51-15-7-5-8-16-51)67-21-13-11-19-61(67)63-37-31-55(43-69(63)77)83(57-35-41-71(79)73(81)45-57)59-33-39-65-66-40-34-60(48-76(66)85-75(65)47-59)84(58-36-42-72(80)74(82)46-58)56-32-38-64-62-20-12-14-22-68(62)78(70(64)44-56,52-17-9-6-10-18-52)54-29-25-50(4-2)26-30-54/h3-4,7,11-12,15-17,19-20,23,25,27,29,33-36,39-42,44-45,47-48,50,54-55,66,74,76H,1-2,5-6,8-10,13-14,18,21-22,24,26,28,30-32,37-38,43,46H2.
What are the key properties of 7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine?
7-N-[9-cyclohexa-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine has a molecular weight of 1133.47 g/mol, XLogP of 20.68, 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-1,5-dien-1-yl-9-(4-ethenylcyclohexa-1,3-dien-1-yl)-1,2,3,4,7,8-hexahydrofluoren-2-yl]-3-N-[9-(cyclohexen-1-yl)-9-(4-ethenylcyclohex-2-en-1-yl)-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-(4,5-difluorocyclohexa-1,3-dien-1-yl)-7-N-(3,4-difluorophenyl)-4a,9b-dihydrodibenzofuran-3,7-diamine is sourced from PubChem (CID 174319146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).