1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole)

C129H216N14O2 — CID 167546494

IUPAC1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole)
SMILESCC(C)C1=CCC(C(C)C)=C1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)c1
InChIInChI=1S/2C12H18.C11H18.4C10H17N.2C10H16O.2C9H16N2.2C8H15N3/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8/h2*5-10H,1-4H3;5,7-9H,6H2,1-4H3;2*5-8,11H,1-4H3;2*5-9H,1-4H3;4*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyBVYDYJXIRJCBMV-UHFFFAOYSA-N
MW1995.24 g/mol
LogP40.52
Rot. Bonds26

About 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole)

1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole) (PubChem CID 167546494) has the molecular formula C129H216N14O2 and a molecular weight of 1995.24 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole).

Molecular Properties

Compound Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole)
PubChem CID167546494
Molecular FormulaC129H216N14O2
Molecular Weight1995.24 g/mol
Exact Mass1993.72
IUPAC Name1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole)
SMILESCC(C)C1=CCC(C(C)C)=C1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)c1
InChIInChI=1S/2C12H18.C11H18.4C10H17N.2C10H16O.2C9H16N2.2C8H15N3/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8/h2*5-10H,1-4H3;5,7-9H,6H2,1-4H3;2*5-8,11H,1-4H3;2*5-9H,1-4H3;4*5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyBVYDYJXIRJCBMV-UHFFFAOYSA-N
XLogP40.52
TPSA164.78 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001995.24
LogP ≤ 540.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole)?
The IUPAC name of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole) (CID 167546494) is 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole).
What is the SMILES notation for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole)?
The canonical SMILES for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole) is CC(C)C1=CCC(C(C)C)=C1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1c[nH]c(C(C)C)c1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1cccc(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)c1.CC(C)c1coc(C(C)C)c1.CC(C)c1coc(C(C)C)c1.
What is the InChIKey of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole)?
The InChIKey is BVYDYJXIRJCBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H18.C11H18.4C10H17N.2C10H16O.2C9H16N2.2C8H15N3/c1-9(2)11-5-7-12(8-6-11)10(3)4;1-9(2)11-6-5-7-12(8-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-7(2)9-5-10(8(3)4)11-6-9;2*1-7(2)9-5-10-11(6-9)8(3)4;2*1-6(2)8-5-11(7(3)4)10-9-8/h2*5-10H,1-4H3;5,7-9H,6H2,1-4H3;2*5-8,11H,1-4H3;2*5-9H,1-4H3;4*5-8H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole)?
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole) has a molecular weight of 1995.24 g/mol, XLogP of 40.52, 26 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;1,3-di(propan-2-yl)cyclopenta-1,3-diene;bis(2,4-di(propan-2-yl)furan);bis(1,4-di(propan-2-yl)pyrazole);bis(1,3-di(propan-2-yl)pyrrole);bis(2,4-di(propan-2-yl)-1H-pyrrole);bis(1,4-di(propan-2-yl)triazole) is sourced from PubChem (CID 167546494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).