3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine

C41H35FN2O — CID 23593199

IUPAC3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1ccc(C(C)(C)c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(F)cc5)ccc34)cc2)cc1
InChIInChI=1S/C41H35FN2O/c1-28-10-12-29(13-11-28)41(2,3)30-14-18-34(19-15-30)44(33-8-6-5-7-9-33)36-23-25-38-37-24-22-35(26-39(37)45-40(38)27-36)43(4)32-20-16-31(42)17-21-32/h5-27H,1-4H3
InChIKeyJEOUHYNGTDRHHZ-UHFFFAOYSA-N
MW590.74 g/mol
LogP11.60
Rot. Bonds7

About 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine

3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine (PubChem CID 23593199) has the molecular formula C41H35FN2O and a molecular weight of 590.74 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine
PubChem CID23593199
Molecular FormulaC41H35FN2O
Molecular Weight590.74 g/mol
Exact Mass590.27
IUPAC Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1ccc(C(C)(C)c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(F)cc5)ccc34)cc2)cc1
InChIInChI=1S/C41H35FN2O/c1-28-10-12-29(13-11-28)41(2,3)30-14-18-34(19-15-30)44(33-8-6-5-7-9-33)36-23-25-38-37-24-22-35(26-39(37)45-40(38)27-36)43(4)32-20-16-31(42)17-21-32/h5-27H,1-4H3
InChIKeyJEOUHYNGTDRHHZ-UHFFFAOYSA-N
XLogP11.60
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.74
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-3-ylpentanamide
CID 4055978
Ethanone, 1-(4-fluorophenyl)-2-(3-dibenzofuranylamino)-
CID 607375
N-[(1R)-1-deuterio-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-1-phenylethyl]-N-dibenzofuran-3-yl-2-oxopropanamide
CID 177371638
N-(4-(2-(6-Dimethylamino)benzofuranyl)phenyl)maleimide
CID 127759
N-dibenzofuran-3-yl-2-phenylacetamide
CID 602980
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
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 91572290
3-Dimethylaminodibenzofuran
CID 129657248
6-Dimethylamino-2-methylbenzofuran
CID 129673091
N-dibenzofuran-3-yl-2,3,4,5,6-pentafluorobenzamide
CID 2200914
N-[(4-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2966855

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine?
The IUPAC name of 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) is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine is Cc1ccc(C(C)(C)c2ccc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(F)cc5)ccc34)cc2)cc1.
What is the InChIKey of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine?
The InChIKey is JEOUHYNGTDRHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35FN2O/c1-28-10-12-29(13-11-28)41(2,3)30-14-18-34(19-15-30)44(33-8-6-5-7-9-33)36-23-25-38-37-24-22-35(26-39(37)45-40(38)27-36)43(4)32-20-16-31(42)17-21-32/h5-27H,1-4H3.
What are the key properties of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine?
3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine has a molecular weight of 590.74 g/mol, XLogP of 11.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-7-N-phenyldibenzofuran-3,7-diamine is sourced from PubChem (CID 23593199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).