benzene;ethane;furan;pyridine;thiophene

C37H73NOS — CID 161155031

IUPACbenzene;ethane;furan;pyridine;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C6H6.C5H5N.C4H4O.C4H4S.9C2H6/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;9*1-2/h1-6H;1-5H;2*1-4H;9*1-2H3
InChIKeyUPEKTPHIPFQMAB-UHFFFAOYSA-N
MW580.06 g/mol
LogP15.03
Rot. Bonds

About benzene;ethane;furan;pyridine;thiophene

benzene;ethane;furan;pyridine;thiophene (PubChem CID 161155031) has the molecular formula C37H73NOS and a molecular weight of 580.06 g/mol. Its IUPAC name is benzene;ethane;furan;pyridine;thiophene.

Molecular Properties

Compound Namebenzene;ethane;furan;pyridine;thiophene
PubChem CID161155031
Molecular FormulaC37H73NOS
Molecular Weight580.06 g/mol
Exact Mass579.54
IUPAC Namebenzene;ethane;furan;pyridine;thiophene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1
InChIInChI=1S/C6H6.C5H5N.C4H4O.C4H4S.9C2H6/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;9*1-2/h1-6H;1-5H;2*1-4H;9*1-2H3
InChIKeyUPEKTPHIPFQMAB-UHFFFAOYSA-N
XLogP15.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.06
LogP ≤ 515.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;furan;pyridine;thiophene?
The IUPAC name of benzene;ethane;furan;pyridine;thiophene (CID 161155031) is benzene;ethane;furan;pyridine;thiophene.
What is the SMILES notation for benzene;ethane;furan;pyridine;thiophene?
The canonical SMILES for benzene;ethane;furan;pyridine;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.
What is the InChIKey of benzene;ethane;furan;pyridine;thiophene?
The InChIKey is UPEKTPHIPFQMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.C4H4O.C4H4S.9C2H6/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;9*1-2/h1-6H;1-5H;2*1-4H;9*1-2H3.
What are the key properties of benzene;ethane;furan;pyridine;thiophene?
benzene;ethane;furan;pyridine;thiophene has a molecular weight of 580.06 g/mol, XLogP of 15.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;furan;pyridine;thiophene is sourced from PubChem (CID 161155031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).