3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine

C38H27FN2O2 — CID 23593205

IUPAC3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1ccc2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(F)cc5)ccc34)ccc12
InChIInChI=1S/C38H27FN2O2/c1-24-8-16-31-33-18-14-29(22-37(33)42-35(31)20-24)41(27-6-4-3-5-7-27)30-15-19-34-32-17-13-28(21-36(32)43-38(34)23-30)40(2)26-11-9-25(39)10-12-26/h3-23H,1-2H3
InChIKeyLMELGYKCXDFQGA-UHFFFAOYSA-N
MW562.64 g/mol
LogP11.17
Rot. Bonds5

About 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine

3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine (PubChem CID 23593205) has the molecular formula C38H27FN2O2 and a molecular weight of 562.64 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine
PubChem CID23593205
Molecular FormulaC38H27FN2O2
Molecular Weight562.64 g/mol
Exact Mass562.21
IUPAC Name3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine
SMILESCc1ccc2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(F)cc5)ccc34)ccc12
InChIInChI=1S/C38H27FN2O2/c1-24-8-16-31-33-18-14-29(22-37(33)42-35(31)20-24)41(27-6-4-3-5-7-27)30-15-19-34-32-17-13-28(21-36(32)43-38(34)23-30)40(2)26-11-9-25(39)10-12-26/h3-23H,1-2H3
InChIKeyLMELGYKCXDFQGA-UHFFFAOYSA-N
XLogP11.17
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.64
LogP ≤ 511.17
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
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
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
N-[(4-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2966855
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
N-(dibenzo[b,d]furan-3-yl)-2-(4-fluorophenyl)acetamide
CID 5157014
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

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine?
The IUPAC name of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine (CID 23593205) is 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine.
What is the SMILES notation for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine?
The canonical SMILES for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine is Cc1ccc2c(c1)oc1cc(N(c3ccccc3)c3ccc4c(c3)oc3cc(N(C)c5ccc(F)cc5)ccc34)ccc12.
What is the InChIKey of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine?
The InChIKey is LMELGYKCXDFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27FN2O2/c1-24-8-16-31-33-18-14-29(22-37(33)42-35(31)20-24)41(27-6-4-3-5-7-27)30-15-19-34-32-17-13-28(21-36(32)43-38(34)23-30)40(2)26-11-9-25(39)10-12-26/h3-23H,1-2H3.
What are the key properties of 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine?
3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine has a molecular weight of 562.64 g/mol, XLogP of 11.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-3-N-methyl-7-N-(7-methyldibenzofuran-3-yl)-7-N-phenyldibenzofuran-3,7-diamine is sourced from PubChem (CID 23593205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).