5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine

C64H39F4N3OS — CID 146588768

IUPAC5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESFc1cc(F)cc(N(c2ccccc2)c2cc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)c4ccccc34)cc(N(c3ccccc3)c3cc(F)cc(F)c3)c2)c1
InChIInChI=1S/C64H39F4N3OS/c65-41-31-42(66)34-51(33-41)69(45-13-3-1-4-14-45)49-29-40(30-50(37-49)70(46-15-5-2-6-16-46)52-35-43(67)32-44(68)36-52)53-25-26-60(55-18-8-7-17-54(53)55)71(47-23-27-62-58(38-47)56-19-9-11-21-61(56)72-62)48-24-28-64-59(39-48)57-20-10-12-22-63(57)73-64/h1-39H
InChIKeyBVQAXNXKYOFDES-UHFFFAOYSA-N
MW974.10 g/mol
LogP19.74
Rot. Bonds10

About 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine

5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine (PubChem CID 146588768) has the molecular formula C64H39F4N3OS and a molecular weight of 974.10 g/mol. Its IUPAC name is 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
PubChem CID146588768
Molecular FormulaC64H39F4N3OS
Molecular Weight974.10 g/mol
Exact Mass973.27
IUPAC Name5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
SMILESFc1cc(F)cc(N(c2ccccc2)c2cc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)c4ccccc34)cc(N(c3ccccc3)c3cc(F)cc(F)c3)c2)c1
InChIInChI=1S/C64H39F4N3OS/c65-41-31-42(66)34-51(33-41)69(45-13-3-1-4-14-45)49-29-40(30-50(37-49)70(46-15-5-2-6-16-46)52-35-43(67)32-44(68)36-52)53-25-26-60(55-18-8-7-17-54(53)55)71(47-23-27-62-58(38-47)56-19-9-11-21-61(56)72-62)48-24-28-64-59(39-48)57-20-10-12-22-63(57)73-64/h1-39H
InChIKeyBVQAXNXKYOFDES-UHFFFAOYSA-N
XLogP19.74
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.10
LogP ≤ 519.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine with MolForge

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Related Compounds

N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzofuran-3-amine
CID 153299753
3-N-dibenzofuran-2-yl-3-N-[3-(N-dibenzothiophen-2-ylanilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134198268
N-[4-[4-(N-dibenzothiophen-2-ylanilino)naphthalen-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 71126719
5-dibenzofuran-1-yl-3-N-dibenzothiophen-2-yl-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 122551974
5-[7-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]dibenzofuran-2-yl]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 146588601
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
5-[4-(N-dibenzothiophen-3-yl-3-phenylanilino)naphthalen-1-yl]-1-N,1-N,3-N-triphenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
CID 146588762
5-(3-dibenzofuran-2-yl-5-dibenzothiophen-2-ylphenyl)-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 121383373
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605120
N-dibenzothiophen-2-yl-N-[5-(3,5-dichlorophenyl)naphthalen-1-yl]dibenzofuran-2-amine
CID 146588852

Frequently Asked Questions

What is the IUPAC name of 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The IUPAC name of 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine (CID 146588768) is 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine.
What is the SMILES notation for 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The canonical SMILES for 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine is Fc1cc(F)cc(N(c2ccccc2)c2cc(-c3ccc(N(c4ccc5oc6ccccc6c5c4)c4ccc5sc6ccccc6c5c4)c4ccccc34)cc(N(c3ccccc3)c3cc(F)cc(F)c3)c2)c1.
What is the InChIKey of 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
The InChIKey is BVQAXNXKYOFDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39F4N3OS/c65-41-31-42(66)34-51(33-41)69(45-13-3-1-4-14-45)49-29-40(30-50(37-49)70(46-15-5-2-6-16-46)52-35-43(67)32-44(68)36-52)53-25-26-60(55-18-8-7-17-54(53)55)71(47-23-27-62-58(38-47)56-19-9-11-21-61(56)72-62)48-24-28-64-59(39-48)57-20-10-12-22-63(57)73-64/h1-39H.
What are the key properties of 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine?
5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine has a molecular weight of 974.10 g/mol, XLogP of 19.74, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[dibenzofuran-2-yl(dibenzothiophen-2-yl)amino]naphthalen-1-yl]-1-N,3-N-bis(3,5-difluorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine is sourced from PubChem (CID 146588768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).