1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene

C145H134F6N2O12S — CID 158799618

IUPAC1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene
SMILESCCc1ccc(CC)cc1.Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C29H22F6O2.2C29H28O2.C26H22O4S.C22H20N2O2.C10H14/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-21-7-5-9-27(19-21)30-25-15-11-23(12-16-25)29(3,4)24-13-17-26(18-14-24)31-28-10-6-8-22(2)20-28;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-15-3-11-19(12-4-15)23-21(25)17-7-9-18(10-8-17)22(26)24-20-13-5-16(2)6-14-20;1-3-9-5-7-10(4-2)8-6-9/h3-18H,1-2H3;2*5-20H,1-4H3;3-18H,1-2H3;3-14H,1-2H3,(H,23,25)(H,24,26);5-8H,3-4H2,1-2H3
InChIKeyITHVDKXYTNRPNL-UHFFFAOYSA-N
MW2242.72 g/mol
LogP40.07
Rot. Bonds30

About 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene

1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene (PubChem CID 158799618) has the molecular formula C145H134F6N2O12S and a molecular weight of 2242.72 g/mol. Its IUPAC name is 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene
PubChem CID158799618
Molecular FormulaC145H134F6N2O12S
Molecular Weight2242.72 g/mol
Exact Mass2240.96
IUPAC Name1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene
SMILESCCc1ccc(CC)cc1.Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1
InChIInChI=1S/C29H22F6O2.2C29H28O2.C26H22O4S.C22H20N2O2.C10H14/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-21-7-5-9-27(19-21)30-25-15-11-23(12-16-25)29(3,4)24-13-17-26(18-14-24)31-28-10-6-8-22(2)20-28;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-15-3-11-19(12-4-15)23-21(25)17-7-9-18(10-8-17)22(26)24-20-13-5-16(2)6-14-20;1-3-9-5-7-10(4-2)8-6-9/h3-18H,1-2H3;2*5-20H,1-4H3;3-18H,1-2H3;3-14H,1-2H3,(H,23,25)(H,24,26);5-8H,3-4H2,1-2H3
InChIKeyITHVDKXYTNRPNL-UHFFFAOYSA-N
XLogP40.07
TPSA166.18 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002242.72
LogP ≤ 540.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene?
The IUPAC name of 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene (CID 158799618) is 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene.
What is the SMILES notation for 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene?
The canonical SMILES for 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene is CCc1ccc(CC)cc1.Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1.
What is the InChIKey of 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene?
The InChIKey is ITHVDKXYTNRPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6O2.2C29H28O2.C26H22O4S.C22H20N2O2.C10H14/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-21-7-5-9-27(19-21)30-25-15-11-23(12-16-25)29(3,4)24-13-17-26(18-14-24)31-28-10-6-8-22(2)20-28;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-15-3-11-19(12-4-15)23-21(25)17-7-9-18(10-8-17)22(26)24-20-13-5-16(2)6-14-20;1-3-9-5-7-10(4-2)8-6-9/h3-18H,1-2H3;2*5-20H,1-4H3;3-18H,1-2H3;3-14H,1-2H3,(H,23,25)(H,24,26);5-8H,3-4H2,1-2H3.
What are the key properties of 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene?
1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene has a molecular weight of 2242.72 g/mol, XLogP of 40.07, 30 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-methylphenyl)benzene-1,4-dicarboxamide;1,4-diethylbenzene;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-methyl-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene is sourced from PubChem (CID 158799618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).