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

C39H27F3N2O2 — CID 23593367

IUPAC3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc(N(C)c6ccc(C(F)(F)F)cc6)ccc45)cc3c2c1
InChIInChI=1S/C39H27F3N2O2/c1-24-8-18-35-33(20-24)34-21-29(15-19-36(34)45-35)44(27-6-4-3-5-7-27)30-14-17-32-31-16-13-28(22-37(31)46-38(32)23-30)43(2)26-11-9-25(10-12-26)39(40,41)42/h3-23H,1-2H3
InChIKeyVBZPXTFHEJUGSJ-UHFFFAOYSA-N
MW612.65 g/mol
LogP12.05
Rot. Bonds5

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

3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (PubChem CID 23593367) has the molecular formula C39H27F3N2O2 and a molecular weight of 612.65 g/mol. Its IUPAC name is 3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
PubChem CID23593367
Molecular FormulaC39H27F3N2O2
Molecular Weight612.65 g/mol
Exact Mass612.20
IUPAC Name3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc2oc3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc(N(C)c6ccc(C(F)(F)F)cc6)ccc45)cc3c2c1
InChIInChI=1S/C39H27F3N2O2/c1-24-8-18-35-33(20-24)34-21-29(15-19-36(34)45-35)44(27-6-4-3-5-7-27)30-14-17-32-31-16-13-28(22-37(31)46-38(32)23-30)43(2)26-11-9-25(10-12-26)39(40,41)42/h3-23H,1-2H3
InChIKeyVBZPXTFHEJUGSJ-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

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Related Compounds

5-[3-[(2,2-difluoro-2-phenylethyl)carbamoyl]phenyl]-6-(ethylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 122503535
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
N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine
CID 23593121
N-(4-fluorophenyl)-N,7-dimethyldibenzofuran-3-amine
CID 23593175
7-N-(4-fluorophenyl)-7-N,9,9-trimethyl-2-N-(8-methyldibenzofuran-2-yl)-2-N-phenylfluorene-2,7-diamine
CID 23593180
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593199
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-(4-methylphenoxy)phenyl]-7-N-phenyldibenzofuran-3,7-diamine
CID 23593201
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine
CID 23593205
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-(4-methylphenyl)dibenzofuran-3,7-diamine
CID 23593206
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzofuran-3,7-diamine
CID 23593209
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyldibenzothiophene-3,7-diamine
CID 23593210

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The IUPAC name of 3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (CID 23593367) is 3-N-methyl-7-N-(8-methyldibenzofuran-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-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-methyl-7-N-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is Cc1ccc2oc3ccc(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-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The InChIKey is VBZPXTFHEJUGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27F3N2O2/c1-24-8-18-35-33(20-24)34-21-29(15-19-36(34)45-35)44(27-6-4-3-5-7-27)30-14-17-32-31-16-13-28(22-37(31)46-38(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-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
3-N-methyl-7-N-(8-methyldibenzofuran-2-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-(8-methyldibenzofuran-2-yl)-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is sourced from PubChem (CID 23593367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).