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

C39H29F3N2O — CID 23593393

IUPAC3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)cc2)cc1
InChIInChI=1S/C39H29F3N2O/c1-26-8-10-27(11-9-26)28-12-16-32(17-13-28)44(31-6-4-3-5-7-31)34-21-23-36-35-22-20-33(24-37(35)45-38(36)25-34)43(2)30-18-14-29(15-19-30)39(40,41)42/h3-25H,1-2H3
InChIKeyYDUKBKQFETUISQ-UHFFFAOYSA-N
MW598.67 g/mol
LogP11.82
Rot. Bonds6

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

3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (PubChem CID 23593393) has the molecular formula C39H29F3N2O and a molecular weight of 598.67 g/mol. Its IUPAC name is 3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
PubChem CID23593393
Molecular FormulaC39H29F3N2O
Molecular Weight598.67 g/mol
Exact Mass598.22
IUPAC Name3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine
SMILESCc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)cc2)cc1
InChIInChI=1S/C39H29F3N2O/c1-26-8-10-27(11-9-26)28-12-16-32(17-13-28)44(31-6-4-3-5-7-31)34-21-23-36-35-22-20-33(24-37(35)45-38(36)25-34)43(2)30-18-14-29(15-19-30)39(40,41)42/h3-25H,1-2H3
InChIKeyYDUKBKQFETUISQ-UHFFFAOYSA-N
XLogP11.82
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.67
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(dibenzo[b,d]furan-3-yl)pentanediamide
CID 3110736
N-Dibenzofuran-3-yl-3-methyl-butyramide
CID 2913552
N-(3-dibenzofuranyl)-2-methylpropanamide
CID 3150699
1,3,3-Trimethyl-3,4-dihydrobenzofuro[2,3-f]quinoline
CID 15458736
[6-(Diethylamino)-1-benzofuran-2-yl]-[4-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]phenyl]methanone
CID 127052242
N-dibenzofuran-3-ylpentanamide
CID 4055978
1-[4-[4-[6-(Diethylamino)-1-benzofuran-2-carbonyl]phenyl]piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 155529685
Ethanone, 1-(4-fluorophenyl)-2-(3-dibenzofuranylamino)-
CID 607375
N-phenyl-1-Dibenzofuranamine
CID 71079236
N-3-Dibenzofuranyl-2,2,2-trifluoroacetamide
CID 3098056
1-[4-[4-[6-(Diethylamino)-1-benzofuran-2-carbonyl]phenyl]piperazin-1-yl]-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone
CID 155520994
N-[(1R)-1-deuterio-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-1-phenylethyl]-N-dibenzofuran-3-yl-2-oxopropanamide
CID 177371638

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The IUPAC name of 3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine (CID 23593393) is 3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is Cc1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(C(F)(F)F)cc5)ccc34)cc2)cc1.
What is the InChIKey of 3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
The InChIKey is YDUKBKQFETUISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H29F3N2O/c1-26-8-10-27(11-9-26)28-12-16-32(17-13-28)44(31-6-4-3-5-7-31)34-21-23-36-35-22-20-33(24-37(35)45-38(36)25-34)43(2)30-18-14-29(15-19-30)39(40,41)42/h3-25H,1-2H3.
What are the key properties of 3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine?
3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine has a molecular weight of 598.67 g/mol, XLogP of 11.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-7-N-[4-(4-methylphenyl)phenyl]-7-N-phenyl-3-N-[4-(trifluoromethyl)phenyl]dibenzofuran-3,7-diamine is sourced from PubChem (CID 23593393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).