bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine

C130H204N10O3 — CID 157480971

IUPACbis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine
SMILESCC(C)(C)C1=C(C2CC2)CN=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)N1CCCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)n1cccc1.Cc1c(C(C)(C)C)cnn1C.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)o1.Cc1ccoc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/2C11H17N.2C10H15N.2C10H14.C9H16N2.C9H13N.2C9H14O.C8H17N.2C8H13N.C8H12O/c1-11(2,3)10-7-12-6-9(10)8-4-5-8;1-8-6-7-10(9(2)12-8)11(3,4)5;1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;1-7-8(9(2,3)4)6-10-11(7)5;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7/h7-8H,4-6H2,1-3H3;6-7H,1-5H3;2*5-7H,1-4H3;2*4-8H,1-3H3;6H,1-5H3;4-7H,1-3H3;2*5-6H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3
InChIKeyBWDQILQRQKQUFG-UHFFFAOYSA-N
MW1955.13 g/mol
LogP36.43
Rot. Bonds1

About bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine

bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine (PubChem CID 157480971) has the molecular formula C130H204N10O3 and a molecular weight of 1955.13 g/mol. Its IUPAC name is bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine.

Molecular Properties

Compound Namebis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine
PubChem CID157480971
Molecular FormulaC130H204N10O3
Molecular Weight1955.13 g/mol
Exact Mass1953.61
IUPAC Namebis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine
SMILESCC(C)(C)C1=C(C2CC2)CN=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)N1CCCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)n1cccc1.Cc1c(C(C)(C)C)cnn1C.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)o1.Cc1ccoc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1
InChIInChI=1S/2C11H17N.2C10H15N.2C10H14.C9H16N2.C9H13N.2C9H14O.C8H17N.2C8H13N.C8H12O/c1-11(2,3)10-7-12-6-9(10)8-4-5-8;1-8-6-7-10(9(2)12-8)11(3,4)5;1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;1-7-8(9(2,3)4)6-10-11(7)5;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7/h7-8H,4-6H2,1-3H3;6-7H,1-5H3;2*5-7H,1-4H3;2*4-8H,1-3H3;6H,1-5H3;4-7H,1-3H3;2*5-6H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3
InChIKeyBWDQILQRQKQUFG-UHFFFAOYSA-N
XLogP36.43
TPSA141.69 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds1
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001955.13
LogP ≤ 536.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine?
The IUPAC name of bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine (CID 157480971) is bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine.
What is the SMILES notation for bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine?
The canonical SMILES for bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine is CC(C)(C)C1=C(C2CC2)CN=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)N1CCCC1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.CC(C)(C)c1ccccn1.CC(C)(C)c1ccco1.CC(C)(C)n1cccc1.Cc1c(C(C)(C)C)cnn1C.Cc1ccc(C(C)(C)C)c(C)n1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)o1.Cc1ccoc1C(C)(C)C.Cc1cncc(C(C)(C)C)c1.
What is the InChIKey of bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine?
The InChIKey is BWDQILQRQKQUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H17N.2C10H15N.2C10H14.C9H16N2.C9H13N.2C9H14O.C8H17N.2C8H13N.C8H12O/c1-11(2,3)10-7-12-6-9(10)8-4-5-8;1-8-6-7-10(9(2)12-8)11(3,4)5;1-8-5-9(7-11-6-8)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;2*1-10(2,3)9-7-5-4-6-8-9;1-7-8(9(2,3)4)6-10-11(7)5;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;2*1-8(2,3)9-6-4-5-7-9;2*1-8(2,3)7-5-4-6-9-7/h7-8H,4-6H2,1-3H3;6-7H,1-5H3;2*5-7H,1-4H3;2*4-8H,1-3H3;6H,1-5H3;4-7H,1-3H3;2*5-6H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;5-6H,4H2,1-3H3;4-6H,1-3H3.
What are the key properties of bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine?
bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine has a molecular weight of 1955.13 g/mol, XLogP of 36.43, 1 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tert-butylbenzene);4-tert-butyl-3-cyclopropyl-2H-pyrrole;4-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-2,6-dimethylpyridine;2-tert-butylfuran;2-tert-butyl-3-methylfuran;2-tert-butyl-5-methylfuran;3-tert-butyl-5-methylpyridine;5-tert-butyl-2-methylpyridine;2-tert-butylpyridine;1-tert-butylpyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine is sourced from PubChem (CID 157480971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).