1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole

C195H312N26O9S4 — CID 159662637

IUPAC1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole
SMILESCC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1
InChIInChI=1S/C9H14.5C8H13N.5C8H12O.4C8H12S.5C7H12N2.3C7H11NO.2C6H11N3.C6H10N2O/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-8-9-5/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;5-6H,4H2,1-3H3;2*4-5H,6H2,1-3H3;9*4-6H,1-3H3;2*5H,4H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3
InChIKeyMSZVZXQHMIPTMN-UHFFFAOYSA-N
MW3293.08 g/mol
LogP56.13
Rot. Bonds

About 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole

1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole (PubChem CID 159662637) has the molecular formula C195H312N26O9S4 and a molecular weight of 3293.08 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole.

Molecular Properties

Compound Name1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole
PubChem CID159662637
Molecular FormulaC195H312N26O9S4
Molecular Weight3293.08 g/mol
Exact Mass3290.36
IUPAC Name1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole
SMILESCC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1
InChIInChI=1S/C9H14.5C8H13N.5C8H12O.4C8H12S.5C7H12N2.3C7H11NO.2C6H11N3.C6H10N2O/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-8-9-5/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;5-6H,4H2,1-3H3;2*4-5H,6H2,1-3H3;9*4-6H,1-3H3;2*5H,4H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3
InChIKeyMSZVZXQHMIPTMN-UHFFFAOYSA-N
XLogP56.13
TPSA440.88 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003293.08
LogP ≤ 556.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Analyze 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole?
The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole (CID 159662637) is 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole.
What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole?
The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole is CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cccs1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccoc1.CC(C)(C)c1ccsc1.CC(C)(C)c1ccsc1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.
What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole?
The InChIKey is MSZVZXQHMIPTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.5C8H13N.5C8H12O.4C8H12S.5C7H12N2.3C7H11NO.2C6H11N3.C6H10N2O/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;3*1-8(2,3)7-5-4-6-9-7;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-7-4-8-9-5/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;5-6H,4H2,1-3H3;2*4-5H,6H2,1-3H3;9*4-6H,1-3H3;2*5H,4H2,1-3H3;4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);4H,1-3H3.
What are the key properties of 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole?
1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole has a molecular weight of 3293.08 g/mol, XLogP of 56.13, 0 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylcyclopenta-1,3-diene;tris(2-tert-butylfuran);bis(3-tert-butylfuran);1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;bis(5-tert-butyl-2H-pyrrole);5-tert-butyl-3H-pyrrole;bis(2-tert-butylthiophene);bis(3-tert-butylthiophene);1-tert-butyltriazole;4-tert-butyl-2H-triazole is sourced from PubChem (CID 159662637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).