bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine

C187H272F2N12O3S — CID 161428508

IUPACbis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
SMILESC1CCNCC1.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccon1.CC(C)C
InChIInChI=1S/C14H16.C13H15N.3C12H15N.2C11H14N2.C10H18F2.4C9H14.2C8H13N.2C8H12O.C8H12S.C7H11NO.C5H11N.C4H10/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-4-6-10(11,12)7-5-8;4*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;4*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6;1-2-4-6-5-3-1;1-4(2)3/h4-10H,1-3H3;4-9H,1-3H3;3*4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13);8H,4-7H2,1-3H3;3*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;6H,1-5H2;4H,1-3H3
InChIKeyVXRQOBLDTYEVLY-UHFFFAOYSA-N
MW2806.38 g/mol
LogP56.35
Rot. Bonds

About bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine

bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine (PubChem CID 161428508) has the molecular formula C187H272F2N12O3S and a molecular weight of 2806.38 g/mol. Its IUPAC name is bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine.

Molecular Properties

Compound Namebis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
PubChem CID161428508
Molecular FormulaC187H272F2N12O3S
Molecular Weight2806.38 g/mol
Exact Mass2804.12
IUPAC Namebis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine
SMILESC1CCNCC1.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccon1.CC(C)C
InChIInChI=1S/C14H16.C13H15N.3C12H15N.2C11H14N2.C10H18F2.4C9H14.2C8H13N.2C8H12O.C8H12S.C7H11NO.C5H11N.C4H10/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-4-6-10(11,12)7-5-8;4*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;4*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6;1-2-4-6-5-3-1;1-4(2)3/h4-10H,1-3H3;4-9H,1-3H3;3*4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13);8H,4-7H2,1-3H3;3*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;6H,1-5H2;4H,1-3H3
InChIKeyVXRQOBLDTYEVLY-UHFFFAOYSA-N
XLogP56.35
TPSA206.68 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms205
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002806.38
LogP ≤ 556.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine?
The IUPAC name of bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine (CID 161428508) is bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine.
What is the SMILES notation for bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine?
The canonical SMILES for bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine is C1CCNCC1.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1CCC(F)(F)CC1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1ccon1.CC(C)C.
What is the InChIKey of bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine?
The InChIKey is VXRQOBLDTYEVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H15N.3C12H15N.2C11H14N2.C10H18F2.4C9H14.2C8H13N.2C8H12O.C8H12S.C7H11NO.C5H11N.C4H10/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;2*1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-9(2,3)8-4-6-10(11,12)7-5-8;4*1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-4-5-9-6-7;4*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-5-9-8-6;1-2-4-6-5-3-1;1-4(2)3/h4-10H,1-3H3;4-9H,1-3H3;3*4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13);8H,4-7H2,1-3H3;3*4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;4,6H,5H2,1-3H3;5-6H,4H2,1-3H3;3*4-6H,1-3H3;4-5H,1-3H3;6H,1-5H2;4H,1-3H3.
What are the key properties of bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine?
bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine has a molecular weight of 2806.38 g/mol, XLogP of 56.35, 0 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-tert-butyl-1H-benzimidazole);1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylcyclopenta-1,3-diene);4-tert-butyl-1,1-difluorocyclohexane;bis(2-tert-butylfuran);3-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;2-tert-butylnaphthalene;3-tert-butyl-1,2-oxazole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;6-tert-butylquinoline;2-tert-butylthiophene;2-methylpropane;piperidine is sourced from PubChem (CID 161428508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).