3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine

C39H29F3N2O2 — CID 23593337

IUPAC3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc(Oc2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)cc2)cc1
InChIInChI=1S/C39H29F3N2O2/c1-26-8-18-33(19-9-26)45-34-20-14-30(15-21-34)44(29-6-4-3-5-7-29)32-17-23-36-35-22-16-31(24-37(35)46-38(36)25-32)43(2)28-12-10-27(11-13-28)39(40,41)42/h3-25H,1-2H3
InChIKeyJWPDFXNBRCYXEJ-UHFFFAOYSA-N
MW614.67 g/mol
LogP11.94
Rot. Bonds7

About 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine

3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (PubChem CID 23593337) has the molecular formula C39H29F3N2O2 and a molecular weight of 614.67 g/mol. Its IUPAC name is 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
PubChem CID23593337
Molecular FormulaC39H29F3N2O2
Molecular Weight614.67 g/mol
Exact Mass614.22
IUPAC Name3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc(Oc2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)cc2)cc1
InChIInChI=1S/C39H29F3N2O2/c1-26-8-18-33(19-9-26)45-34-20-14-30(15-21-34)44(29-6-4-3-5-7-29)32-17-23-36-35-22-16-31(24-37(35)46-38(36)25-32)43(2)28-12-10-27(11-13-28)39(40,41)42/h3-25H,1-2H3
InChIKeyJWPDFXNBRCYXEJ-UHFFFAOYSA-N
XLogP11.94
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.67
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(dibenzo[b,d]furan-3-yl)pentanediamide
CID 3110736
[6-(Diethylamino)-1-benzofuran-2-yl]-[4-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]phenyl]methanone
CID 127052242
5-[3-[(2,2-difluoro-2-phenylethyl)carbamoyl]phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 122503535
N-dibenzofuran-3-ylpentanamide
CID 4055978
Ethanone, 1-(4-fluorophenyl)-2-(3-dibenzofuranylamino)-
CID 607375
N-3-Dibenzofuranyl-2,2,2-trifluoroacetamide
CID 3098056
N-[(1R)-1-deuterio-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-1-phenylethyl]-N-dibenzofuran-3-yl-2-oxopropanamide
CID 177371638
N-(4-(2-(6-Dimethylamino)benzofuranyl)phenyl)maleimide
CID 127759
N-dibenzofuran-3-yl-2-phenylacetamide
CID 602980
N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
2-(4-chlorophenyl)-4,5,7-trifluoro-N,N,3-triphenyl-1-benzofuran-6-amine
CID 102314758
N-benzo[3,4-b]benzo[d]furan-3-yl(4-ethoxyphenyl)carboxamide
CID 3111809

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The IUPAC name of 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (CID 23593337) is 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is Cc1ccc(Oc2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)cc2)cc1.
What is the InChIKey of 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The InChIKey is JWPDFXNBRCYXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29F3N2O2/c1-26-8-18-33(19-9-26)45-34-20-14-30(15-21-34)44(29-6-4-3-5-7-29)32-17-23-36-35-22-16-31(24-37(35)46-38(36)25-32)43(2)28-12-10-27(11-13-28)39(40,41)42/h3-25H,1-2H3.
What are the key properties of 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine has a molecular weight of 614.67 g/mol, XLogP of 11.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is sourced from PubChem (CID 23593337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).