bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane

C96H178N2O3S3 — CID 157371707

IUPACbis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1cocc1C(C)C.CC(C)c1cscc1C(C)C
InChIInChI=1S/2C10H17N.3C10H16O.3C10H16S.8C2H6/c2*1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)9-5-11-6-10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)9-5-11-6-10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;8*1-2/h2*5-8,11H,1-4H3;6*5-8H,1-4H3;8*1-2H3
InChIKeyBJVNFCFGMVENQI-UHFFFAOYSA-N
MW1504.69 g/mol
LogP37.30
Rot. Bonds16

About bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane

bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane (PubChem CID 157371707) has the molecular formula C96H178N2O3S3 and a molecular weight of 1504.69 g/mol. Its IUPAC name is bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane.

Molecular Properties

Compound Namebis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane
PubChem CID157371707
Molecular FormulaC96H178N2O3S3
Molecular Weight1504.69 g/mol
Exact Mass1503.30
IUPAC Namebis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1cocc1C(C)C.CC(C)c1cscc1C(C)C
InChIInChI=1S/2C10H17N.3C10H16O.3C10H16S.8C2H6/c2*1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)9-5-11-6-10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)9-5-11-6-10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;8*1-2/h2*5-8,11H,1-4H3;6*5-8H,1-4H3;8*1-2H3
InChIKeyBJVNFCFGMVENQI-UHFFFAOYSA-N
XLogP37.30
TPSA71.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001504.69
LogP ≤ 537.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane?
The IUPAC name of bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane (CID 157371707) is bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane.
What is the SMILES notation for bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane?
The canonical SMILES for bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cc[nH]c1C(C)C.CC(C)c1cc[nH]c1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1cocc1C(C)C.CC(C)c1cscc1C(C)C.
What is the InChIKey of bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane?
The InChIKey is BJVNFCFGMVENQI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H17N.3C10H16O.3C10H16S.8C2H6/c2*1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)9-5-11-6-10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;1-7(2)9-5-11-6-10(9)8(3)4;2*1-7(2)9-5-6-11-10(9)8(3)4;8*1-2/h2*5-8,11H,1-4H3;6*5-8H,1-4H3;8*1-2H3.
What are the key properties of bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane?
bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane has a molecular weight of 1504.69 g/mol, XLogP of 37.30, 16 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-di(propan-2-yl)furan);3,4-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)-1H-pyrrole);bis(2,3-di(propan-2-yl)thiophene);3,4-di(propan-2-yl)thiophene;ethane is sourced from PubChem (CID 157371707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).