furan;hexakis(2-methylpropane);1H-pyrrole;thiophene

C36H73NOS — CID 158832061

IUPACfuran;hexakis(2-methylpropane);1H-pyrrole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc[nH]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.6C4H10/c3*1-2-4-5-3-1;6*1-4(2)3/h1-5H;2*1-4H;6*4H,1-3H3
InChIKeyIXDZRTMQNMCUDZ-UHFFFAOYSA-N
MW568.05 g/mol
LogP14.02
Rot. Bonds

About furan;hexakis(2-methylpropane);1H-pyrrole;thiophene

furan;hexakis(2-methylpropane);1H-pyrrole;thiophene (PubChem CID 158832061) has the molecular formula C36H73NOS and a molecular weight of 568.05 g/mol. Its IUPAC name is furan;hexakis(2-methylpropane);1H-pyrrole;thiophene.

Molecular Properties

Compound Namefuran;hexakis(2-methylpropane);1H-pyrrole;thiophene
PubChem CID158832061
Molecular FormulaC36H73NOS
Molecular Weight568.05 g/mol
Exact Mass567.54
IUPAC Namefuran;hexakis(2-methylpropane);1H-pyrrole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc[nH]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.6C4H10/c3*1-2-4-5-3-1;6*1-4(2)3/h1-5H;2*1-4H;6*4H,1-3H3
InChIKeyIXDZRTMQNMCUDZ-UHFFFAOYSA-N
XLogP14.02
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.05
LogP ≤ 514.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan;hexakis(2-methylpropane);1H-pyrrole;thiophene?
The IUPAC name of furan;hexakis(2-methylpropane);1H-pyrrole;thiophene (CID 158832061) is furan;hexakis(2-methylpropane);1H-pyrrole;thiophene.
What is the SMILES notation for furan;hexakis(2-methylpropane);1H-pyrrole;thiophene?
The canonical SMILES for furan;hexakis(2-methylpropane);1H-pyrrole;thiophene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1cc[nH]c1.c1ccoc1.c1ccsc1.
What is the InChIKey of furan;hexakis(2-methylpropane);1H-pyrrole;thiophene?
The InChIKey is IXDZRTMQNMCUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.6C4H10/c3*1-2-4-5-3-1;6*1-4(2)3/h1-5H;2*1-4H;6*4H,1-3H3.
What are the key properties of furan;hexakis(2-methylpropane);1H-pyrrole;thiophene?
furan;hexakis(2-methylpropane);1H-pyrrole;thiophene has a molecular weight of 568.05 g/mol, XLogP of 14.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan;hexakis(2-methylpropane);1H-pyrrole;thiophene is sourced from PubChem (CID 158832061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).