benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene

C73H145N3O2S2 — CID 160945381

IUPACbenzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C6H6.C5H5N.C4H4O.C4H4S.12C4H10.C3H3NO.C3H3NS/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;12*1-4(2)3;2*1-2-5-3-4-1/h1-6H;1-5H;2*1-4H;12*4H,1-3H3;2*1-3H
InChIKeySVAQQCWQMGQPMC-UHFFFAOYSA-N
MW1161.12 g/mol
LogP27.56
Rot. Bonds

About benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene

benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene (PubChem CID 160945381) has the molecular formula C73H145N3O2S2 and a molecular weight of 1161.12 g/mol. Its IUPAC name is benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebenzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene
PubChem CID160945381
Molecular FormulaC73H145N3O2S2
Molecular Weight1161.12 g/mol
Exact Mass1160.08
IUPAC Namebenzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1
InChIInChI=1S/C6H6.C5H5N.C4H4O.C4H4S.12C4H10.C3H3NO.C3H3NS/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;12*1-4(2)3;2*1-2-5-3-4-1/h1-6H;1-5H;2*1-4H;12*4H,1-3H3;2*1-3H
InChIKeySVAQQCWQMGQPMC-UHFFFAOYSA-N
XLogP27.56
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.12
LogP ≤ 527.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The IUPAC name of benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene (CID 160945381) is benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene.
What is the SMILES notation for benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The canonical SMILES for benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.
What is the InChIKey of benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene?
The InChIKey is SVAQQCWQMGQPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.C4H4O.C4H4S.12C4H10.C3H3NO.C3H3NS/c2*1-2-4-6-5-3-1;2*1-2-4-5-3-1;12*1-4(2)3;2*1-2-5-3-4-1/h1-6H;1-5H;2*1-4H;12*4H,1-3H3;2*1-3H.
What are the key properties of benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene?
benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene has a molecular weight of 1161.12 g/mol, XLogP of 27.56, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;furan;dodecakis(2-methylpropane);1,3-oxazole;pyridine;1,3-thiazole;thiophene is sourced from PubChem (CID 160945381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).