N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine

C74H59F2NO5 — CID 169286401

IUPACN,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine
SMILESCCC1(COc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc6c(c5)C(c5ccc(F)cc5)(c5ccc(OCC7(CC)COC7)cc5)c5ccccc5-6)c5cccc6c5oc5ccccc56)cc43)cc2)COC1
InChIInChI=1S/C74H59F2NO5/c1-3-71(42-78-43-71)46-80-56-34-24-50(25-35-56)73(48-20-28-52(75)29-21-48)64-16-8-5-12-58(64)60-38-32-54(40-66(60)73)77(68-18-11-15-63-62-14-7-10-19-69(62)82-70(63)68)55-33-39-61-59-13-6-9-17-65(59)74(67(61)41-55,49-22-30-53(76)31-23-49)51-26-36-57(37-27-51)81-47-72(4-2)44-79-45-72/h5-41H,3-4,42-47H2,1-2H3
InChIKeyOPXVVHTYUDFPQV-UHFFFAOYSA-N
MW1080.28 g/mol
LogP17.67
Rot. Bonds15

About N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine

N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine (PubChem CID 169286401) has the molecular formula C74H59F2NO5 and a molecular weight of 1080.28 g/mol. Its IUPAC name is N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine
PubChem CID169286401
Molecular FormulaC74H59F2NO5
Molecular Weight1080.28 g/mol
Exact Mass1079.44
IUPAC NameN,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine
SMILESCCC1(COc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc6c(c5)C(c5ccc(F)cc5)(c5ccc(OCC7(CC)COC7)cc5)c5ccccc5-6)c5cccc6c5oc5ccccc56)cc43)cc2)COC1
InChIInChI=1S/C74H59F2NO5/c1-3-71(42-78-43-71)46-80-56-34-24-50(25-35-56)73(48-20-28-52(75)29-21-48)64-16-8-5-12-58(64)60-38-32-54(40-66(60)73)77(68-18-11-15-63-62-14-7-10-19-69(62)82-70(63)68)55-33-39-61-59-13-6-9-17-65(59)74(67(61)41-55,49-22-30-53(76)31-23-49)51-26-36-57(37-27-51)81-47-72(4-2)44-79-45-72/h5-41H,3-4,42-47H2,1-2H3
InChIKeyOPXVVHTYUDFPQV-UHFFFAOYSA-N
XLogP17.67
TPSA53.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.28
LogP ≤ 517.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-2,4-difluoroanilino)phenyl]phenyl]-9-(4-methylphenyl)fluoren-2-amine
CID 167019673
2-N,2-N'-di(dibenzofuran-4-yl)-2-N,2-N'-bis[9-(4-ethenylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 172539045
9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-[4-[4-(N-[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-7,9-diphenylfluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-N-(2-fluorophenyl)-7,9-diphenylfluoren-2-amine
CID 163844192
4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-phenylfluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
CID 177262601
9-(2,5-dimethylphenyl)-N-[4-[4-(N-[9-(2,5-dimethylphenyl)-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]fluoren-2-yl]-2-fluoroanilino)phenyl]phenyl]-9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-N-(2-fluorophenyl)fluoren-2-amine
CID 167019664
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
CID 169022127
4-N,6-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(2,4,5-trifluorophenyl)fluoren-2-yl]-4-N,6-N-bis(4-fluorophenyl)dibenzofuran-4,6-diamine
CID 177262774
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-phenyl-N-spiro[benzo[a]phenalene-7,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 164960101
1-N,9-N-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-1-N,9-N-diphenyldibenzofuran-1,9-diamine
CID 177262874

Frequently Asked Questions

What is the IUPAC name of N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine?
The IUPAC name of N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine (CID 169286401) is N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine.
What is the SMILES notation for N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine?
The canonical SMILES for N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine is CCC1(COc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc6c(c5)C(c5ccc(F)cc5)(c5ccc(OCC7(CC)COC7)cc5)c5ccccc5-6)c5cccc6c5oc5ccccc56)cc43)cc2)COC1.
What is the InChIKey of N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine?
The InChIKey is OPXVVHTYUDFPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H59F2NO5/c1-3-71(42-78-43-71)46-80-56-34-24-50(25-35-56)73(48-20-28-52(75)29-21-48)64-16-8-5-12-58(64)60-38-32-54(40-66(60)73)77(68-18-11-15-63-62-14-7-10-19-69(62)82-70(63)68)55-33-39-61-59-13-6-9-17-65(59)74(67(61)41-55,49-22-30-53(76)31-23-49)51-26-36-57(37-27-51)81-47-72(4-2)44-79-45-72/h5-41H,3-4,42-47H2,1-2H3.
What are the key properties of N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine?
N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine has a molecular weight of 1080.28 g/mol, XLogP of 17.67, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[9-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-9-(4-fluorophenyl)fluoren-2-yl]dibenzofuran-4-amine is sourced from PubChem (CID 169286401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).