3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine

C39H27F3N2OS — CID 23593369

IUPAC3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc2sc3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc(N(C)c6ccc(C(F)(F)F)cc6)ccc45)cc3c2c1
InChIInChI=1S/C39H27F3N2OS/c1-24-8-18-37-33(20-24)34-21-29(15-19-38(34)46-37)44(27-6-4-3-5-7-27)30-14-17-32-31-16-13-28(22-35(31)45-36(32)23-30)43(2)26-11-9-25(10-12-26)39(40,41)42/h3-23H,1-2H3
InChIKeyIWCKZSCOKWWDJS-UHFFFAOYSA-N
MW628.72 g/mol
LogP12.52
Rot. Bonds5

About 3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine

3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (PubChem CID 23593369) has the molecular formula C39H27F3N2OS and a molecular weight of 628.72 g/mol. Its IUPAC name is 3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
PubChem CID23593369
Molecular FormulaC39H27F3N2OS
Molecular Weight628.72 g/mol
Exact Mass628.18
IUPAC Name3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc2sc3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc(N(C)c6ccc(C(F)(F)F)cc6)ccc45)cc3c2c1
InChIInChI=1S/C39H27F3N2OS/c1-24-8-18-37-33(20-24)34-21-29(15-19-38(34)46-37)44(27-6-4-3-5-7-27)30-14-17-32-31-16-13-28(22-35(31)45-36(32)23-30)43(2)26-11-9-25(10-12-26)39(40,41)42/h3-23H,1-2H3
InChIKeyIWCKZSCOKWWDJS-UHFFFAOYSA-N
XLogP12.52
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.72
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-methyl-7-N-(8-methyldibenzothiophen-2-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

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
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 23593210
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyldibenzofuran-3,7-diamine
CID 23593211
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenyl)sulfanylphenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593217
3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593359
3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593360
3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593367
3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzothiophene-3,7-diamine
CID 23593368
3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593393
3-N-methyl-7-N-[4-(4-methylphenyl)sulfanylphenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
CID 23593395
15,15,16,24,25,25-Hexamethyl-2-(2,3,4,5,6-pentafluorophenyl)-20-oxonia-7,33-dithia-16,24-diazanonacyclo[19.15.0.03,19.05,17.06,14.08,13.023,35.026,34.027,32]hexatriaconta-1,3,5(17),6(14),8,10,12,18,20,22,26(34),27,29,31,35-pentadecaene
CID 58788148
6-(dimethylamino)-5-[3-(4-fluoro-1-benzothiophen-2-yl)phenyl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 68240008

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The IUPAC name of 3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (CID 23593369) is 3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is Cc1ccc2sc3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc(N(C)c6ccc(C(F)(F)F)cc6)ccc45)cc3c2c1.
What is the InChIKey of 3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The InChIKey is IWCKZSCOKWWDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27F3N2OS/c1-24-8-18-37-33(20-24)34-21-29(15-19-38(34)46-37)44(27-6-4-3-5-7-27)30-14-17-32-31-16-13-28(22-35(31)45-36(32)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-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
3-N-methyl-7-N-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine has a molecular weight of 628.72 g/mol, XLogP of 12.52, 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-(8-methyldibenzothiophen-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is sourced from PubChem (CID 23593369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).