tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene

C64H72N8O4S4 — CID 158937383

IUPACtetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene
SMILESC1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CN=CC1.C1=CN=CC1.C1=CN=CC1.C1=CN=CC1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cocn1.c1cocn1.c1cscn1.c1cscn1
InChIInChI=1S/4C5H6.4C4H5N.2C4H4O.2C4H4S.2C3H3NO.2C3H3NS/c12*1-2-4-5-3-1;4*1-2-5-3-4-1/h4*1-4H,5H2;4*1,3-4H,2H2;4*1-4H;4*1-3H
InChIKeyJJUYZMYDRYDXGH-UHFFFAOYSA-N
MW1145.60 g/mol
LogP19.60
Rot. Bonds

About tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene

tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene (PubChem CID 158937383) has the molecular formula C64H72N8O4S4 and a molecular weight of 1145.60 g/mol. Its IUPAC name is tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene.

Molecular Properties

Compound Nametetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene
PubChem CID158937383
Molecular FormulaC64H72N8O4S4
Molecular Weight1145.60 g/mol
Exact Mass1144.46
IUPAC Nametetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene
SMILESC1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CN=CC1.C1=CN=CC1.C1=CN=CC1.C1=CN=CC1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cocn1.c1cocn1.c1cscn1.c1cscn1
InChIInChI=1S/4C5H6.4C4H5N.2C4H4O.2C4H4S.2C3H3NO.2C3H3NS/c12*1-2-4-5-3-1;4*1-2-5-3-4-1/h4*1-4H,5H2;4*1,3-4H,2H2;4*1-4H;4*1-3H
InChIKeyJJUYZMYDRYDXGH-UHFFFAOYSA-N
XLogP19.60
TPSA153.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001145.60
LogP ≤ 519.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene?
The IUPAC name of tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene (CID 158937383) is tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene.
What is the SMILES notation for tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene?
The canonical SMILES for tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene is C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CCC=C1.C1=CN=CC1.C1=CN=CC1.C1=CN=CC1.C1=CN=CC1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cocn1.c1cocn1.c1cscn1.c1cscn1.
What is the InChIKey of tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene?
The InChIKey is JJUYZMYDRYDXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H6.4C4H5N.2C4H4O.2C4H4S.2C3H3NO.2C3H3NS/c12*1-2-4-5-3-1;4*1-2-5-3-4-1/h4*1-4H,5H2;4*1,3-4H,2H2;4*1-4H;4*1-3H.
What are the key properties of tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene?
tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene has a molecular weight of 1145.60 g/mol, XLogP of 19.60, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cyclopenta-1,3-diene);furan;bis(1,3-oxazole);tetrakis(3H-pyrrole);bis(1,3-thiazole);thiophene is sourced from PubChem (CID 158937383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).