2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol

C64H40F2N2O3 — CID 144658816

IUPAC2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1-c1cccc(N(c2ccc(F)cc2)c2cc3oc4cc(N(c5ccc(F)cc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)ccc4c3c3ccccc23)c1
InChIInChI=1S/C64H40F2N2O3/c65-43-27-31-45(32-28-43)67(57-26-12-25-55-54-24-11-23-51(63(54)71-64(55)57)41-15-5-2-6-16-41)48-35-36-56-59(38-48)70-60-39-58(52-19-7-8-20-53(52)61(56)60)68(46-33-29-44(66)30-34-46)47-18-9-17-42(37-47)50-22-10-21-49(62(50)69)40-13-3-1-4-14-40/h1-39,69H
InChIKeyUDJQIOHEMFQICD-UHFFFAOYSA-N
MW923.03 g/mol
LogP18.56
Rot. Bonds9

About 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol

2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol (PubChem CID 144658816) has the molecular formula C64H40F2N2O3 and a molecular weight of 923.03 g/mol. Its IUPAC name is 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol
PubChem CID144658816
Molecular FormulaC64H40F2N2O3
Molecular Weight923.03 g/mol
Exact Mass922.30
IUPAC Name2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol
SMILESOc1c(-c2ccccc2)cccc1-c1cccc(N(c2ccc(F)cc2)c2cc3oc4cc(N(c5ccc(F)cc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)ccc4c3c3ccccc23)c1
InChIInChI=1S/C64H40F2N2O3/c65-43-27-31-45(32-28-43)67(57-26-12-25-55-54-24-11-23-51(63(54)71-64(55)57)41-15-5-2-6-16-41)48-35-36-56-59(38-48)70-60-39-58(52-19-7-8-20-53(52)61(56)60)68(46-33-29-44(66)30-34-46)47-18-9-17-42(37-47)50-22-10-21-49(62(50)69)40-13-3-1-4-14-40/h1-39,69H
InChIKeyUDJQIOHEMFQICD-UHFFFAOYSA-N
XLogP18.56
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.03
LogP ≤ 518.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol 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

2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol
CID 144659069
2-cyclopentyl-6-[3-(N-[9-(N-(6-cyclopentyldibenzofuran-4-yl)-4-methylanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-methylanilino)phenyl]phenol
CID 144658499
N,N-bis(4-naphthalen-1-ylphenyl)-2-(6-phenyldibenzofuran-4-yl)aniline;3-[6-(4-fluorophenyl)dibenzofuran-4-yl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline;3-[6-(4-fluorophenyl)dibenzofuran-4-yl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-2-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline;6-phenyl-N,N-bis(4-phenylphenyl)dibenzofuran-4-amine;2-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 158008657
5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(4-methylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(2-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine;5-N,9-N-bis(6-methyldibenzofuran-4-yl)-5-N,9-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 160511447
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-dibenzofuran-3-yl-N-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)dibenzofuran-4-amine
CID 167397702
5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N,9-N-bis(4-fluorophenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 90262742
N-dibenzofuran-3-yl-N,10-bis(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167144500
N-dibenzofuran-3-yl-N,5-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
CID 167144409
5-N,9-N-bis(6-cyclohexyldibenzofuran-4-yl)-5-N-(3-phenylphenyl)-9-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,9-diamine
CID 90262741
N-dibenzofuran-3-yl-N-[4-(2-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-4-amine
CID 170032953
6-N,18-N-bis(6-phenyldibenzofuran-4-yl)-6-N,18-N-bis(3-phenylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16(21),17,19-decaene-6,18-diamine
CID 90263358

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol?
The IUPAC name of 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol (CID 144658816) is 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol.
What is the SMILES notation for 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol?
The canonical SMILES for 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol is Oc1c(-c2ccccc2)cccc1-c1cccc(N(c2ccc(F)cc2)c2cc3oc4cc(N(c5ccc(F)cc5)c5cccc6c5oc5c(-c7ccccc7)cccc56)ccc4c3c3ccccc23)c1.
What is the InChIKey of 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol?
The InChIKey is UDJQIOHEMFQICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40F2N2O3/c65-43-27-31-45(32-28-43)67(57-26-12-25-55-54-24-11-23-51(63(54)71-64(55)57)41-15-5-2-6-16-41)48-35-36-56-59(38-48)70-60-39-58(52-19-7-8-20-53(52)61(56)60)68(46-33-29-44(66)30-34-46)47-18-9-17-42(37-47)50-22-10-21-49(62(50)69)40-13-3-1-4-14-40/h1-39,69H.
What are the key properties of 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol?
2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol has a molecular weight of 923.03 g/mol, XLogP of 18.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluoro-N-[9-(4-fluoro-N-(6-phenyldibenzofuran-4-yl)anilino)naphtho[2,1-b][1]benzofuran-5-yl]anilino)phenyl]-6-phenylphenol is sourced from PubChem (CID 144658816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).