bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole

C178H267N11O9S3 — CID 157484751

IUPACbis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole
SMILESCC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(=O)Nc1ccccc1C(C)(C)C.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1C1=NCC=C1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1S(C)(=O)=O.CN(C)CCOc1ccccc1C(C)(C)C.CN(C)c1ccccc1C(C)(C)C.CN1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C16H24N2O.2C16H24.C15H24N2.2C15H23N.C14H23NO.C14H17N.C12H17NO.C12H19N.C11H17NO2S.2C11H16O2S/c1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;2*1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;2*1-15(2,3)13-9-5-6-10-14(13)16-11-7-4-8-12-16;1-14(2,3)12-8-6-7-9-13(12)16-11-10-15(4)5;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-9(14)13-11-8-6-5-7-10(11)12(2,3)4;1-12(2,3)10-8-6-7-9-11(10)13(4)5;1-11(2,3)9-5-7-10(8-6-9)12-15(4,13)14;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)14(4,12)13/h5-8H,9-12H2,1-4H3;2*7-8,11-13H,4-6,9-10H2,1-3H3;5-8H,9-12H2,1-4H3;2*5-6,9-10H,4,7-8,11-12H2,1-3H3;6-9H,10-11H2,1-5H3;4-9H,10H2,1-3H3;5-8H,1-4H3,(H,13,14);6-9H,1-5H3;5-8,12H,1-4H3;2*5-8H,1-4H3
InChIKeyBWOQCDPTRZORRS-UHFFFAOYSA-N
MW2801.36 g/mol
LogP42.79
Rot. Bonds17

About bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole

bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole (PubChem CID 157484751) has the molecular formula C178H267N11O9S3 and a molecular weight of 2801.36 g/mol. Its IUPAC name is bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole.

Molecular Properties

Compound Namebis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole
PubChem CID157484751
Molecular FormulaC178H267N11O9S3
Molecular Weight2801.36 g/mol
Exact Mass2798.99
IUPAC Namebis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole
SMILESCC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(=O)Nc1ccccc1C(C)(C)C.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1C1=NCC=C1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1S(C)(=O)=O.CN(C)CCOc1ccccc1C(C)(C)C.CN(C)c1ccccc1C(C)(C)C.CN1CCN(c2ccccc2C(C)(C)C)CC1
InChIInChI=1S/C16H24N2O.2C16H24.C15H24N2.2C15H23N.C14H23NO.C14H17N.C12H17NO.C12H19N.C11H17NO2S.2C11H16O2S/c1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;2*1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;2*1-15(2,3)13-9-5-6-10-14(13)16-11-7-4-8-12-16;1-14(2,3)12-8-6-7-9-13(12)16-11-10-15(4)5;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-9(14)13-11-8-6-5-7-10(11)12(2,3)4;1-12(2,3)10-8-6-7-9-11(10)13(4)5;1-11(2,3)9-5-7-10(8-6-9)12-15(4,13)14;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)14(4,12)13/h5-8H,9-12H2,1-4H3;2*7-8,11-13H,4-6,9-10H2,1-3H3;5-8H,9-12H2,1-4H3;2*5-6,9-10H,4,7-8,11-12H2,1-3H3;6-9H,10-11H2,1-5H3;4-9H,10H2,1-3H3;5-8H,1-4H3,(H,13,14);6-9H,1-5H3;5-8,12H,1-4H3;2*5-8H,1-4H3
InChIKeyBWOQCDPTRZORRS-UHFFFAOYSA-N
XLogP42.79
TPSA208.13 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002801.36
LogP ≤ 542.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole?
The IUPAC name of bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole (CID 157484751) is bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole.
What is the SMILES notation for bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole?
The canonical SMILES for bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole is CC(=O)N1CCN(c2ccccc2C(C)(C)C)CC1.CC(=O)Nc1ccccc1C(C)(C)C.CC(C)(C)c1ccc(NS(C)(=O)=O)cc1.CC(C)(C)c1cccc(S(C)(=O)=O)c1.CC(C)(C)c1ccccc1C1=NCC=C1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1C1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1N1CCCCC1.CC(C)(C)c1ccccc1S(C)(=O)=O.CN(C)CCOc1ccccc1C(C)(C)C.CN(C)c1ccccc1C(C)(C)C.CN1CCN(c2ccccc2C(C)(C)C)CC1.
What is the InChIKey of bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole?
The InChIKey is BWOQCDPTRZORRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O.2C16H24.C15H24N2.2C15H23N.C14H23NO.C14H17N.C12H17NO.C12H19N.C11H17NO2S.2C11H16O2S/c1-13(19)17-9-11-18(12-10-17)15-8-6-5-7-14(15)16(2,3)4;2*1-16(2,3)15-12-8-7-11-14(15)13-9-5-4-6-10-13;1-15(2,3)13-7-5-6-8-14(13)17-11-9-16(4)10-12-17;2*1-15(2,3)13-9-5-6-10-14(13)16-11-7-4-8-12-16;1-14(2,3)12-8-6-7-9-13(12)16-11-10-15(4)5;1-14(2,3)12-8-5-4-7-11(12)13-9-6-10-15-13;1-9(14)13-11-8-6-5-7-10(11)12(2,3)4;1-12(2,3)10-8-6-7-9-11(10)13(4)5;1-11(2,3)9-5-7-10(8-6-9)12-15(4,13)14;1-11(2,3)9-6-5-7-10(8-9)14(4,12)13;1-11(2,3)9-7-5-6-8-10(9)14(4,12)13/h5-8H,9-12H2,1-4H3;2*7-8,11-13H,4-6,9-10H2,1-3H3;5-8H,9-12H2,1-4H3;2*5-6,9-10H,4,7-8,11-12H2,1-3H3;6-9H,10-11H2,1-5H3;4-9H,10H2,1-3H3;5-8H,1-4H3,(H,13,14);6-9H,1-5H3;5-8,12H,1-4H3;2*5-8H,1-4H3.
What are the key properties of bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole?
bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole has a molecular weight of 2801.36 g/mol, XLogP of 42.79, 17 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-tert-butyl-2-cyclohexylbenzene);2-tert-butyl-N,N-dimethylaniline;1-tert-butyl-2-methylsulfonylbenzene;1-tert-butyl-3-methylsulfonylbenzene;2-(2-tert-butylphenoxy)-N,N-dimethylethanamine;N-(2-tert-butylphenyl)acetamide;N-(4-tert-butylphenyl)methanesulfonamide;1-(2-tert-butylphenyl)-4-methylpiperazine;1-[4-(2-tert-butylphenyl)piperazin-1-yl]ethanone;bis(1-(2-tert-butylphenyl)piperidine);5-(2-tert-butylphenyl)-2H-pyrrole is sourced from PubChem (CID 157484751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).