3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine

C94H90F2N2O3 — CID 174319272

IUPAC3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine
SMILESC=CC1=CCC(OC2=CCC(C3(C4=CC(C)CC=C4C)C4=C(C=CCC4)c4ccc(N(c5ccc6c(c5)oc5cc(N(C7=CCC(F)CC7)C7=CC8C(CC7)c7ccccc7C8(C7=CCC(Oc8ccc(C=C)cc8)C=C7)c7cc(C)ccc7C)ccc56)C5C=CC(F)=CC5)cc43)CC2)C=C1
InChIInChI=1S/C94H90F2N2O3/c1-7-63-21-41-75(42-22-63)99-77-45-25-65(26-46-77)93(87-53-59(3)17-19-61(87)5)85-15-11-9-13-79(85)81-49-37-71(55-89(81)93)97(69-33-29-67(95)30-34-69)73-39-51-83-84-52-40-74(58-92(84)101-91(83)57-73)98(70-35-31-68(96)32-36-70)72-38-50-82-80-14-10-12-16-86(80)94(90(82)56-72,88-54-60(4)18-20-62(88)6)66-27-47-78(48-28-66)100-76-43-23-64(8-2)24-44-76/h7-11,13-15,17,19-26,31-33,35,38-43,45,47,50-58,60,66-67,70,76-77,81,89H,1-2,12,16,18,27-30,34,36-37,44,46,48-49H2,3-6H3
InChIKeyKNQWOZMKLKTYBD-UHFFFAOYSA-N
MW1333.76 g/mol
LogP24.50
Rot. Bonds16

About 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine

3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine (PubChem CID 174319272) has the molecular formula C94H90F2N2O3 and a molecular weight of 1333.76 g/mol. Its IUPAC name is 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine
PubChem CID174319272
Molecular FormulaC94H90F2N2O3
Molecular Weight1333.76 g/mol
Exact Mass1332.69
IUPAC Name3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine
SMILESC=CC1=CCC(OC2=CCC(C3(C4=CC(C)CC=C4C)C4=C(C=CCC4)c4ccc(N(c5ccc6c(c5)oc5cc(N(C7=CCC(F)CC7)C7=CC8C(CC7)c7ccccc7C8(C7=CCC(Oc8ccc(C=C)cc8)C=C7)c7cc(C)ccc7C)ccc56)C5C=CC(F)=CC5)cc43)CC2)C=C1
InChIInChI=1S/C94H90F2N2O3/c1-7-63-21-41-75(42-22-63)99-77-45-25-65(26-46-77)93(87-53-59(3)17-19-61(87)5)85-15-11-9-13-79(85)81-49-37-71(55-89(81)93)97(69-33-29-67(95)30-34-69)73-39-51-83-84-52-40-74(58-92(84)101-91(83)57-73)98(70-35-31-68(96)32-36-70)72-38-50-82-80-14-10-12-16-86(80)94(90(82)56-72,88-54-60(4)18-20-62(88)6)66-27-47-78(48-28-66)100-76-43-23-64(8-2)24-44-76/h7-11,13-15,17,19-26,31-33,35,38-43,45,47,50-58,60,66-67,70,76-77,81,89H,1-2,12,16,18,27-30,34,36-37,44,46,48-49H2,3-6H3
InChIKeyKNQWOZMKLKTYBD-UHFFFAOYSA-N
XLogP24.50
TPSA38.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001333.76
LogP ≤ 524.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine with MolForge

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Related Compounds

7-N-[3,6-difluoro-4-(4-fluorocyclohexen-1-yl)cyclohexa-1,3-dien-1-yl]-3-N-[2,5-difluoro-4-(4-fluorophenyl)phenyl]-3-N-[9-(3,6-dimethylcyclohexa-1,3-dien-1-yl)-9-[4-(4-ethenylcyclohexa-1,3-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]-3,4,7,8-tetrahydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-4a,7,8,9a-tetrahydrofluoren-2-yl]-4a,9b-dihydrodibenzofuran-3,7-diamine
CID 174319685
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
3-N,7-N-bis[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenyl)phenyl]fluoren-2-yl]-3-N,7-N-bis(4-fluorophenyl)dibenzofuran-3,7-diamine
CID 177262564
7-N-[9-(4-tert-butylcyclohexa-2,4-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-3,4,7,8-tetrahydrofluoren-2-yl]-3-N-[9-(4-tert-butylphenyl)-9-[4-(4-ethenylcyclohexa-1,5-dien-1-yl)oxyphenyl]-5,6,7,8-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexen-1-yl)-7-N-(4-fluorocyclohex-3-en-1-yl)-4a,9b-dihydrodibenzothiophene-3,7-diamine
CID 174318527
3-N,7-N-bis(3,4-difluorophenyl)-3-N,7-N-bis[3-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluoren-2-yl]phenyl]dibenzofuran-3,7-diamine
CID 177262614
N-(4-dibenzofuran-2-ylcyclohexa-1,3-dien-1-yl)-N-(9,9-dimethyl-2,3,7,8-tetrahydrofluoren-2-yl)-7-methylspiro[4b,7,8,8a-tetrahydrofluorene-9,9'-fluorene]-2-amine
CID 178089659
3-[(1Z)-buta-1,3-dienyl]-N-[4-(9-cyclohexa-1,3-dien-1-yl-1,2-dihydrofluoren-9-yl)cyclohexa-2,4-dien-1-yl]-N-(4-dibenzofuran-4-ylphenyl)-4-methylnaphthalen-2-amine
CID 138488855
2-N,2-N'-di(dibenzofuran-3-yl)-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 170413785
N,N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,5,6-tetrafluorophenyl)fluoren-2-yl]dibenzofuran-3-amine
CID 169286422
N,N-bis(9,9-dimethylfluoren-2-yl)-7-ethenyldibenzofuran-3-amine
CID 90360978
3-N,7-N-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-3-N,7-N-bis[4-(4-fluorophenyl)-2,5-dimethylphenyl]dibenzofuran-3,7-diamine
CID 177262610
9-[4-(4-ethenylphenoxy)phenyl]-N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,3,4,5,6-pentafluorophenyl)-7,8-dihydrofluoren-2-yl]-9-(2,3,4,5,6-pentafluorophenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 167160929

Frequently Asked Questions

What is the IUPAC name of 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine?
The IUPAC name of 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine (CID 174319272) is 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine is C=CC1=CCC(OC2=CCC(C3(C4=CC(C)CC=C4C)C4=C(C=CCC4)c4ccc(N(c5ccc6c(c5)oc5cc(N(C7=CCC(F)CC7)C7=CC8C(CC7)c7ccccc7C8(C7=CCC(Oc8ccc(C=C)cc8)C=C7)c7cc(C)ccc7C)ccc56)C5C=CC(F)=CC5)cc43)CC2)C=C1.
What is the InChIKey of 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine?
The InChIKey is KNQWOZMKLKTYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C94H90F2N2O3/c1-7-63-21-41-75(42-22-63)99-77-45-25-65(26-46-77)93(87-53-59(3)17-19-61(87)5)85-15-11-9-13-79(85)81-49-37-71(55-89(81)93)97(69-33-29-67(95)30-34-69)73-39-51-83-84-52-40-74(58-92(84)101-91(83)57-73)98(70-35-31-68(96)32-36-70)72-38-50-82-80-14-10-12-16-86(80)94(90(82)56-72,88-54-60(4)18-20-62(88)6)66-27-47-78(48-28-66)100-76-43-23-64(8-2)24-44-76/h7-11,13-15,17,19-26,31-33,35,38-43,45,47,50-58,60,66-67,70,76-77,81,89H,1-2,12,16,18,27-30,34,36-37,44,46,48-49H2,3-6H3.
What are the key properties of 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine?
3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine has a molecular weight of 1333.76 g/mol, XLogP of 24.50, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[9-(3,6-dimethylcyclohexa-1,5-dien-1-yl)-9-[4-(4-ethenylcyclohexa-2,4-dien-1-yl)oxycyclohex-3-en-1-yl]-7,8-dihydrofluoren-2-yl]-7-N-[9-(2,5-dimethylphenyl)-9-[4-(4-ethenylphenoxy)cyclohexa-1,5-dien-1-yl]-3,4,4a,9a-tetrahydrofluoren-2-yl]-3-N-(4-fluorocyclohexa-2,4-dien-1-yl)-7-N-(4-fluorocyclohexen-1-yl)dibenzofuran-3,7-diamine is sourced from PubChem (CID 174319272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).