3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine

C40H28Br2F4N2O — CID 142500441

IUPAC3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(F)(F)OC4(F)F)cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C40H28Br2F4N2O/c1-25-3-12-31(13-4-25)47(32-14-5-26(2)6-15-32)35-21-28(27-7-20-37-38(23-27)40(45,46)49-39(37,43)44)22-36(24-35)48(33-16-8-29(41)9-17-33)34-18-10-30(42)11-19-34/h3-24H,1-2H3
InChIKeyZFNQNJDSTUJXOZ-UHFFFAOYSA-N
MW788.48 g/mol
LogP13.56
Rot. Bonds7

About 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine

3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine (PubChem CID 142500441) has the molecular formula C40H28Br2F4N2O and a molecular weight of 788.48 g/mol. Its IUPAC name is 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine
PubChem CID142500441
Molecular FormulaC40H28Br2F4N2O
Molecular Weight788.48 g/mol
Exact Mass786.05
IUPAC Name3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(F)(F)OC4(F)F)cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C40H28Br2F4N2O/c1-25-3-12-31(13-4-25)47(32-14-5-26(2)6-15-32)35-21-28(27-7-20-37-38(23-27)40(45,46)49-39(37,43)44)22-36(24-35)48(33-16-8-29(41)9-17-33)34-18-10-30(42)11-19-34/h3-24H,1-2H3
InChIKeyZFNQNJDSTUJXOZ-UHFFFAOYSA-N
XLogP13.56
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.48
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine 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

3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,2,3,3-pentamethylisoindol-5-yl)benzene-1,3-diamine
CID 142500563
1-N,3-N-diphenyl-1-N,3-N-bis[3-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]benzene-1,3-diamine
CID 142500795
N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine
CID 148635885
2-methyl-N-(2-methylphenyl)-N-[4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)phenyl]aniline
CID 142500531
5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
CID 59510924
N,N-bis(4-bromophenyl)-3-(2,2-difluoro-1,1,3,3-tetramethylinden-5-yl)aniline
CID 142500772
3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(4-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)benzene-1,3-diamine
CID 142500584
1-N,1-N,3-N,3-N,5-N,5-N-hexakis(4-bromophenyl)benzene-1,3,5-triamine
CID 134943535
3,5-dibromo-N,N-bis(4-methylphenyl)aniline
CID 58544695
5-(4-methylphenyl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 121295814
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
N-[4-(4-bromophenyl)phenyl]-N,3,5-triphenylaniline
CID 121327890

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine?
The IUPAC name of 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine (CID 142500441) is 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine is Cc1ccc(N(c2ccc(C)cc2)c2cc(-c3ccc4c(c3)C(F)(F)OC4(F)F)cc(N(c3ccc(Br)cc3)c3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine?
The InChIKey is ZFNQNJDSTUJXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28Br2F4N2O/c1-25-3-12-31(13-4-25)47(32-14-5-26(2)6-15-32)35-21-28(27-7-20-37-38(23-27)40(45,46)49-39(37,43)44)22-36(24-35)48(33-16-8-29(41)9-17-33)34-18-10-30(42)11-19-34/h3-24H,1-2H3.
What are the key properties of 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine?
3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine has a molecular weight of 788.48 g/mol, XLogP of 13.56, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(4-bromophenyl)-1-N,1-N-bis(4-methylphenyl)-5-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)benzene-1,3-diamine is sourced from PubChem (CID 142500441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).