benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine

C97H196N14O3 — CID 158290483

IUPACbenzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.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.c1ccccc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1ncncn1.c1nnco1
InChIInChI=1S/C6H6.C5H5N.9C5H12.3C4H4N2.C3H3N3.2C3H3NO.C2H2N2O.9C2H6/c2*1-2-4-6-5-3-1;9*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;9*1-2/h1-6H;1-5H;9*1-4H3;3*1-4H;1-3H;2*1-3H;1-2H;9*1-2H3
InChIKeyGLHDRUUFEUQGIR-UHFFFAOYSA-N
MW1606.73 g/mol
LogP33.20
Rot. Bonds

About benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine

benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine (PubChem CID 158290483) has the molecular formula C97H196N14O3 and a molecular weight of 1606.73 g/mol. Its IUPAC name is benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine.

Molecular Properties

Compound Namebenzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
PubChem CID158290483
Molecular FormulaC97H196N14O3
Molecular Weight1606.73 g/mol
Exact Mass1605.56
IUPAC Namebenzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.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.c1ccccc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1ncncn1.c1nnco1
InChIInChI=1S/C6H6.C5H5N.9C5H12.3C4H4N2.C3H3N3.2C3H3NO.C2H2N2O.9C2H6/c2*1-2-4-6-5-3-1;9*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;9*1-2/h1-6H;1-5H;9*1-4H3;3*1-4H;1-3H;2*1-3H;1-2H;9*1-2H3
InChIKeyGLHDRUUFEUQGIR-UHFFFAOYSA-N
XLogP33.20
TPSA219.88 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001606.73
LogP ≤ 533.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine with MolForge

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Related Compounds

Methane;1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole
CID 157168114
Furan;1-methylimidazole;1-methylpyrazole;1-methylpyrrole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine;1,3,5-triazine
CID 157541562
Benzene;furan;oxadiazole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4,5-tetrazine;1,2,4-triazine;1,3,5-triazine
CID 157660697
1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-triazole
CID 157705834
1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;3H-pyrazole;4H-pyrazole;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole
CID 159417022
1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;bis(3H-pyrrole);4H-triazole
CID 160588220
1,2,4-oxadiazole;1,2-oxazole;pyrazine;3H-pyrazole;4H-pyrazole;pyridazine;pyridine;pyrimidine;2H-pyrrole;tris(3H-pyrrole);4H-triazole
CID 161178132
1-Methyl-5-propan-2-ylpyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,2,4-triazole
CID 161324049
hexakis(2,2-dimethylpropane);1H-imidazole;tris(2-methylpropane);1,2,4-oxadiazole;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;1H-1,2,4-triazole;2H-triazole
CID 161643600
1,5-dimethyl-2-methylidenepyridine;bis(1-methylimidazole);4-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;3-methylpyridine;5-methylpyrimidine;4-methyl-2H-pyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;toluene
CID 161715131
benzene;cyclohexa-1,3-diene;cyclohexa-1,4-diene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;bis(2H-imidazole);1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyridazine;pyridine;pyrimidine;bis(2H-pyrrole);bis(3H-pyrrole);1,2-thiazole;1,3-thiazole;triazine;1,2,4-triazine;1,3,5-triazine;3H-1,2,4-triazole
CID 161897141
4H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;1,2,4-triazine
CID 165053975

Frequently Asked Questions

What is the IUPAC name of benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The IUPAC name of benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine (CID 158290483) is benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine.
What is the SMILES notation for benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The canonical SMILES for benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.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.c1ccccc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnoc1.c1cocn1.c1ncncn1.c1nnco1.
What is the InChIKey of benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
The InChIKey is GLHDRUUFEUQGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H5N.9C5H12.3C4H4N2.C3H3N3.2C3H3NO.C2H2N2O.9C2H6/c2*1-2-4-6-5-3-1;9*1-5(2,3)4;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-4-2-6-3-5-1;1-2-5-3-4-1;1-2-4-5-3-1;1-3-4-2-5-1;9*1-2/h1-6H;1-5H;9*1-4H3;3*1-4H;1-3H;2*1-3H;1-2H;9*1-2H3.
What are the key properties of benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine?
benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine has a molecular weight of 1606.73 g/mol, XLogP of 33.20, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;nonakis(2,2-dimethylpropane);ethane;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1,3,5-triazine is sourced from PubChem (CID 158290483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).