bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one

C83H62N6O9 — CID 162260143

IUPACbis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.O=C(Cc1ccc(-c2ccccc2)cc1)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C31H22N2O3.2C26H20N2O3/c34-25(18-21-10-13-24(14-11-21)23-6-2-1-3-7-23)19-22-12-15-26-27(20-22)33-31(29-9-5-17-36-29)30(32-26)28-8-4-16-35-28;2*1-17-6-8-18(9-7-17)14-20(29)15-19-10-11-21-22(16-19)28-26(24-5-3-13-31-24)25(27-21)23-4-2-12-30-23/h1-17,20H,18-19H2;2*2-13,16H,14-15H2,1H3
InChIKeyZZDFOZAMWBQHST-UHFFFAOYSA-N
MW1287.44 g/mol
LogP18.80
Rot. Bonds19

About bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one

bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one (PubChem CID 162260143) has the molecular formula C83H62N6O9 and a molecular weight of 1287.44 g/mol. Its IUPAC name is bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one.

Molecular Properties

Compound Namebis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one
PubChem CID162260143
Molecular FormulaC83H62N6O9
Molecular Weight1287.44 g/mol
Exact Mass1286.46
IUPAC Namebis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.O=C(Cc1ccc(-c2ccccc2)cc1)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
InChIInChI=1S/C31H22N2O3.2C26H20N2O3/c34-25(18-21-10-13-24(14-11-21)23-6-2-1-3-7-23)19-22-12-15-26-27(20-22)33-31(29-9-5-17-36-29)30(32-26)28-8-4-16-35-28;2*1-17-6-8-18(9-7-17)14-20(29)15-19-10-11-21-22(16-19)28-26(24-5-3-13-31-24)25(27-21)23-4-2-12-30-23/h1-17,20H,18-19H2;2*2-13,16H,14-15H2,1H3
InChIKeyZZDFOZAMWBQHST-UHFFFAOYSA-N
XLogP18.80
TPSA207.39 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001287.44
LogP ≤ 518.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one?
The IUPAC name of bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one (CID 162260143) is bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one.
What is the SMILES notation for bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one?
The canonical SMILES for bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one is Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.Cc1ccc(CC(=O)Cc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1.O=C(Cc1ccc(-c2ccccc2)cc1)Cc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1.
What is the InChIKey of bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one?
The InChIKey is ZZDFOZAMWBQHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O3.2C26H20N2O3/c34-25(18-21-10-13-24(14-11-21)23-6-2-1-3-7-23)19-22-12-15-26-27(20-22)33-31(29-9-5-17-36-29)30(32-26)28-8-4-16-35-28;2*1-17-6-8-18(9-7-17)14-20(29)15-19-10-11-21-22(16-19)28-26(24-5-3-13-31-24)25(27-21)23-4-2-12-30-23/h1-17,20H,18-19H2;2*2-13,16H,14-15H2,1H3.
What are the key properties of bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one?
bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one has a molecular weight of 1287.44 g/mol, XLogP of 18.80, 19 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-methylphenyl)propan-2-one);1-[2,3-bis(furan-2-yl)quinoxalin-6-yl]-3-(4-phenylphenyl)propan-2-one is sourced from PubChem (CID 162260143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).