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

C39H27F3N2O2 — CID 23593359

IUPAC3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)ccc12
InChIInChI=1S/C39H27F3N2O2/c1-24-8-16-31-33-18-14-29(22-37(33)45-35(31)20-24)44(27-6-4-3-5-7-27)30-15-19-34-32-17-13-28(21-36(32)46-38(34)23-30)43(2)26-11-9-25(10-12-26)39(40,41)42/h3-23H,1-2H3
InChIKeyLRSJSZWBHHNJOY-UHFFFAOYSA-N
MW612.65 g/mol
LogP12.05
Rot. Bonds5

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

3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (PubChem CID 23593359) has the molecular formula C39H27F3N2O2 and a molecular weight of 612.65 g/mol. Its IUPAC name is 3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
PubChem CID23593359
Molecular FormulaC39H27F3N2O2
Molecular Weight612.65 g/mol
Exact Mass612.20
IUPAC Name3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)ccc12
InChIInChI=1S/C39H27F3N2O2/c1-24-8-16-31-33-18-14-29(22-37(33)45-35(31)20-24)44(27-6-4-3-5-7-27)30-15-19-34-32-17-13-28(21-36(32)46-38(34)23-30)43(2)26-11-9-25(10-12-26)39(40,41)42/h3-23H,1-2H3
InChIKeyLRSJSZWBHHNJOY-UHFFFAOYSA-N
XLogP12.05
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.65
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-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

N,N'-bis(dibenzo[b,d]furan-3-yl)pentanediamide
CID 3110736
Ethanone, 1-(4-fluorophenyl)-2-(3-dibenzofuranylamino)-
CID 607375
N-(4-(2-(6-Dimethylamino)benzofuranyl)phenyl)maleimide
CID 127759
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-dibenzofuran-3-yl-N-phenylacetamide
CID 11023005
3-Dimethylaminodibenzofuran
CID 129657248
N-[(4-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2966855
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
Ethyl 4-[6-[ethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)amino]-1-benzofuran-2-yl]benzoate
CID 102010232
7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine
CID 23593088
7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593098

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The IUPAC name of 3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (CID 23593359) is 3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is Cc1ccc2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)ccc12.
What is the InChIKey of 3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The InChIKey is LRSJSZWBHHNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27F3N2O2/c1-24-8-16-31-33-18-14-29(22-37(33)45-35(31)20-24)44(27-6-4-3-5-7-27)30-15-19-34-32-17-13-28(21-36(32)46-38(34)23-30)43(2)26-11-9-25(10-12-26)39(40,41)42/h3-23H,1-2H3.
What are the key properties of 3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine has a molecular weight of 612.65 g/mol, XLogP of 12.05, 5 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-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is sourced from PubChem (CID 23593359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).