cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene

C153H311N11O2S2 — CID 160876709

IUPACcyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
SMILESC1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NN=CC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.C5H6.22C5H12.2C4H4N2.2C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-4-5-3-1;22*1-5(2,3)4;1-2-6-4-3-5-1;1-2-4-6-5-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-5H;1-4H,5H2;22*1-4H3;2*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;2-3H,1H2;2*1-3H
InChIKeySMMKLJWYLMMIBO-UHFFFAOYSA-N
MW2401.38 g/mol
LogP55.58
Rot. Bonds

About cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene

cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene (PubChem CID 160876709) has the molecular formula C153H311N11O2S2 and a molecular weight of 2401.38 g/mol. Its IUPAC name is cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
PubChem CID160876709
Molecular FormulaC153H311N11O2S2
Molecular Weight2401.38 g/mol
Exact Mass2399.40
IUPAC Namecyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene
SMILESC1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NN=CC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cocn1.c1cscn1
InChIInChI=1S/C5H5N.C5H6.22C5H12.2C4H4N2.2C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-4-5-3-1;22*1-5(2,3)4;1-2-6-4-3-5-1;1-2-4-6-5-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-5H;1-4H,5H2;22*1-4H3;2*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;2-3H,1H2;2*1-3H
InChIKeySMMKLJWYLMMIBO-UHFFFAOYSA-N
XLogP55.58
TPSA165.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002401.38
LogP ≤ 555.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene?
The IUPAC name of cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene (CID 160876709) is cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene.
What is the SMILES notation for cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene?
The canonical SMILES for cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene is C1=CCC=C1.C1=CCN=C1.C1=CN=CC1.C1=NN=CC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cocn1.c1cscn1.
What is the InChIKey of cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene?
The InChIKey is SMMKLJWYLMMIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H6.22C5H12.2C4H4N2.2C4H5N.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-4-6-5-3-1;1-2-4-5-3-1;22*1-5(2,3)4;1-2-6-4-3-5-1;1-2-4-6-5-3-1;5*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-5H;1-4H,5H2;22*1-4H3;2*1-4H;1,3-4H,2H2;1-3H,4H2;2*1-4H;2-3H,1H2;2*1-3H.
What are the key properties of cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene?
cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene has a molecular weight of 2401.38 g/mol, XLogP of 55.58, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;docosakis(2,2-dimethylpropane);furan;1,3-oxazole;pyrazine;4H-pyrazole;pyridazine;pyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene is sourced from PubChem (CID 160876709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).