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

C41H31F3N2O2 — CID 23593098

IUPAC7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)oc2cc(C)ccc23)c2ccc3c(c2)oc2cc(N(C)c4ccc(C(F)(F)F)cc4)ccc23)c(C)c1
InChIInChI=1S/C41H31F3N2O2/c1-24-6-18-36(26(3)19-24)46(30-12-16-34-32-14-5-25(2)20-37(32)47-39(34)22-30)31-13-17-35-33-15-11-29(21-38(33)48-40(35)23-31)45(4)28-9-7-27(8-10-28)41(42,43)44/h5-23H,1-4H3
InChIKeyUCGIICFJXICUBP-UHFFFAOYSA-N
MW640.71 g/mol
LogP12.67
Rot. Bonds5

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

7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (PubChem CID 23593098) has the molecular formula C41H31F3N2O2 and a molecular weight of 640.71 g/mol. Its IUPAC name is 7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
PubChem CID23593098
Molecular FormulaC41H31F3N2O2
Molecular Weight640.71 g/mol
Exact Mass640.23
IUPAC Name7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)oc2cc(C)ccc23)c2ccc3c(c2)oc2cc(N(C)c4ccc(C(F)(F)F)cc4)ccc23)c(C)c1
InChIInChI=1S/C41H31F3N2O2/c1-24-6-18-36(26(3)19-24)46(30-12-16-34-32-14-5-25(2)20-37(32)47-39(34)22-30)31-13-17-35-33-15-11-29(21-38(33)48-40(35)23-31)45(4)28-9-7-27(8-10-28)41(42,43)44/h5-23H,1-4H3
InChIKeyUCGIICFJXICUBP-UHFFFAOYSA-N
XLogP12.67
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.71
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,3-Trimethyl-3,4-dihydrobenzofuro[2,3-f]quinoline
CID 15458736
N-(4-(2-(6-Dimethylamino)benzofuranyl)phenyl)maleimide
CID 127759
N-dibenzofuran-3-yl-3-(trifluoromethyl)benzamide
CID 2876758
N-dibenzofuran-3-yl-N-phenylacetamide
CID 11023005
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
N-(3-fluoro-4-methylphenyl)-N,7-dimethyldibenzofuran-3-amine
CID 23593121
N-(4-fluorophenyl)-N,7-dimethyldibenzofuran-3-amine
CID 23593175
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

Frequently Asked Questions

What is the IUPAC name of 7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The IUPAC name of 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) is 7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.
What is the SMILES notation for 7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The canonical SMILES for 7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is Cc1ccc(N(c2ccc3c(c2)oc2cc(C)ccc23)c2ccc3c(c2)oc2cc(N(C)c4ccc(C(F)(F)F)cc4)ccc23)c(C)c1.
What is the InChIKey of 7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The InChIKey is UCGIICFJXICUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31F3N2O2/c1-24-6-18-36(26(3)19-24)46(30-12-16-34-32-14-5-25(2)20-37(32)47-39(34)22-30)31-13-17-35-33-15-11-29(21-38(33)48-40(35)23-31)45(4)28-9-7-27(8-10-28)41(42,43)44/h5-23H,1-4H3.
What are the key properties of 7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine has a molecular weight of 640.71 g/mol, XLogP of 12.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-(2,4-dimethylphenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is sourced from PubChem (CID 23593098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).