2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol

C52H32F2N2O3 — CID 144659069

IUPAC2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol
SMILESOc1ccccc1-c1cccc(N(c2ccc(F)cc2)c2cc3oc4ccc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)cc4c3c3ccccc23)c1
InChIInChI=1S/C52H32F2N2O3/c53-33-19-23-35(24-20-33)55(45-16-8-15-43-41-13-4-6-18-48(41)59-52(43)45)38-27-28-49-44(30-38)51-42-14-2-1-12-40(42)46(31-50(51)58-49)56(36-25-21-34(54)22-26-36)37-10-7-9-32(29-37)39-11-3-5-17-47(39)57/h1-31,57H
InChIKeyLLWSWGOYOPWBCJ-UHFFFAOYSA-N
MW770.84 g/mol
LogP15.23
Rot. Bonds7

About 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol

2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol (PubChem CID 144659069) has the molecular formula C52H32F2N2O3 and a molecular weight of 770.84 g/mol. Its IUPAC name is 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol.

Molecular Properties

Compound Name2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol
PubChem CID144659069
Molecular FormulaC52H32F2N2O3
Molecular Weight770.84 g/mol
Exact Mass770.24
IUPAC Name2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol
SMILESOc1ccccc1-c1cccc(N(c2ccc(F)cc2)c2cc3oc4ccc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)cc4c3c3ccccc23)c1
InChIInChI=1S/C52H32F2N2O3/c53-33-19-23-35(24-20-33)55(45-16-8-15-43-41-13-4-6-18-48(41)59-52(43)45)38-27-28-49-44(30-38)51-42-14-2-1-12-40(42)46(31-50(51)58-49)56(36-25-21-34(54)22-26-36)37-10-7-9-32(29-37)39-11-3-5-17-47(39)57/h1-31,57H
InChIKeyLLWSWGOYOPWBCJ-UHFFFAOYSA-N
XLogP15.23
TPSA52.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.84
LogP ≤ 515.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-fluorophenyl)phenyl]aniline
CID 118428371
6-N-dibenzofuran-2-yl-2-N,2-N,6-N-triphenyldibenzofuran-2,6-diamine
CID 167208512
N-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397725
N-dibenzofuran-4-yl-N-phenyl-12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-9-amine
CID 90262894
3-N-[3-(N-dibenzofuran-2-yl-3-dibenzofuran-4-ylanilino)phenyl]-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 134198198
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis(4-fluorophenyl)-3,8-diphenylpyrene-1,6-diamine
CID 161326103
5-N,10-N-bis(6-tert-butyldibenzofuran-4-yl)-5-N,10-N-bis(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-5,10-diamine
CID 90262797
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
11-N,11-N,21-N,21-N-tetrakis(4-fluorophenyl)-14,18-dioxaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.022,27]octacosa-1(17),2,4(13),5,7,9,11,15,19(28),20,22,24,26-tridecaene-11,21-diamine
CID 155360667

Frequently Asked Questions

What is the IUPAC name of 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol?
The IUPAC name of 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol (CID 144659069) is 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol.
What is the SMILES notation for 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol?
The canonical SMILES for 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol is Oc1ccccc1-c1cccc(N(c2ccc(F)cc2)c2cc3oc4ccc(N(c5ccc(F)cc5)c5cccc6c5oc5ccccc56)cc4c3c3ccccc23)c1.
What is the InChIKey of 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol?
The InChIKey is LLWSWGOYOPWBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32F2N2O3/c53-33-19-23-35(24-20-33)55(45-16-8-15-43-41-13-4-6-18-48(41)59-52(43)45)38-27-28-49-44(30-38)51-42-14-2-1-12-40(42)46(31-50(51)58-49)56(36-25-21-34(54)22-26-36)37-10-7-9-32(29-37)39-11-3-5-17-47(39)57/h1-31,57H.
What are the key properties of 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol?
2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol has a molecular weight of 770.84 g/mol, XLogP of 15.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(N-[10-(N-dibenzofuran-4-yl-4-fluoroanilino)naphtho[2,1-b][1]benzofuran-5-yl]-4-fluoroanilino)phenyl]phenol is sourced from PubChem (CID 144659069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).