7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine

C40H31FN2O2 — CID 23593088

IUPAC7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)oc2cc(C)ccc23)c2ccc3c(c2)oc2cc(N(C)c4ccc(F)cc4)ccc23)c(C)c1
InChIInChI=1S/C40H31FN2O2/c1-24-6-18-36(26(3)19-24)43(30-12-16-34-32-14-5-25(2)20-37(32)44-39(34)22-30)31-13-17-35-33-15-11-29(21-38(33)45-40(35)23-31)42(4)28-9-7-27(41)8-10-28/h5-23H,1-4H3
InChIKeyNKQCEBQMYWYYNH-UHFFFAOYSA-N
MW590.70 g/mol
LogP11.79
Rot. Bonds5

About 7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine

7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine (PubChem CID 23593088) has the molecular formula C40H31FN2O2 and a molecular weight of 590.70 g/mol. Its IUPAC name is 7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine
PubChem CID23593088
Molecular FormulaC40H31FN2O2
Molecular Weight590.70 g/mol
Exact Mass590.24
IUPAC Name7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine
SMILESCc1ccc(N(c2ccc3c(c2)oc2cc(C)ccc23)c2ccc3c(c2)oc2cc(N(C)c4ccc(F)cc4)ccc23)c(C)c1
InChIInChI=1S/C40H31FN2O2/c1-24-6-18-36(26(3)19-24)43(30-12-16-34-32-14-5-25(2)20-37(32)44-39(34)22-30)31-13-17-35-33-15-11-29(21-38(33)45-40(35)23-31)42(4)28-9-7-27(41)8-10-28/h5-23H,1-4H3
InChIKeyNKQCEBQMYWYYNH-UHFFFAOYSA-N
XLogP11.79
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.70
LogP ≤ 511.79
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
1,3,3-Trimethyl-3,4-dihydrobenzofuro[2,3-f]quinoline
CID 15458736
N-(4-(2-(6-Dimethylamino)benzofuranyl)phenyl)maleimide
CID 127759
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
N,N'-bis-dibenzofuran-4-yl-N,N'-bis-(2,5-dimethyl-phenyl)-pyrene-1,6-diamine
CID 121274496
3-Dimethylaminodibenzofuran
CID 129657248
N-[(4-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2966855
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
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

Frequently Asked Questions

What is the IUPAC name of 7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine?
The IUPAC name of 7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine (CID 23593088) is 7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine.
What is the SMILES notation for 7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine?
The canonical SMILES for 7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine is Cc1ccc(N(c2ccc3c(c2)oc2cc(C)ccc23)c2ccc3c(c2)oc2cc(N(C)c4ccc(F)cc4)ccc23)c(C)c1.
What is the InChIKey of 7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine?
The InChIKey is NKQCEBQMYWYYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31FN2O2/c1-24-6-18-36(26(3)19-24)43(30-12-16-34-32-14-5-25(2)20-37(32)44-39(34)22-30)31-13-17-35-33-15-11-29(21-38(33)45-40(35)23-31)42(4)28-9-7-27(41)8-10-28/h5-23H,1-4H3.
What are the key properties of 7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine?
7-N-(2,4-dimethylphenyl)-3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine has a molecular weight of 590.70 g/mol, XLogP of 11.79, 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-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)dibenzofuran-3,7-diamine is sourced from PubChem (CID 23593088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).