benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene

C149H250N16O3S3 — CID 157347978

IUPACbenzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene
SMILESCC(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.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/2C9H7N.2C7H6N2.C6H6.C5H5N.15C5H12.C4H4N2.C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;15*1-5(2,3)4;1-2-5-4-6-3-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h2*1-7H;2*1-5H,(H,8,9);1-6H;1-5H;15*1-4H3;1-4H;1-5H;2*1-4H;1-3H,(H,4,5);4*1-3H
InChIKeyBHETWANHATUXPP-UHFFFAOYSA-N
MW2409.95 g/mol
LogP49.71
Rot. Bonds

About benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene

benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 157347978) has the molecular formula C149H250N16O3S3 and a molecular weight of 2409.95 g/mol. Its IUPAC name is benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebenzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene
PubChem CID157347978
Molecular FormulaC149H250N16O3S3
Molecular Weight2409.95 g/mol
Exact Mass2407.91
IUPAC Namebenzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene
SMILESCC(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.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/2C9H7N.2C7H6N2.C6H6.C5H5N.15C5H12.C4H4N2.C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;15*1-5(2,3)4;1-2-5-4-6-3-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h2*1-7H;2*1-5H,(H,8,9);1-6H;1-5H;15*1-4H3;1-4H;1-5H;2*1-4H;1-3H,(H,4,5);4*1-3H
InChIKeyBHETWANHATUXPP-UHFFFAOYSA-N
XLogP49.71
TPSA257.26 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002409.95
LogP ≤ 549.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161372099
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 161651793
1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 161693883
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;methane;4-methylfuro[3,2-c]pyridine;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;7-methyl-[1,2]oxazolo[5,4-c]pyridine;2-methyl-3-prop-1-enylpyridine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161865812
1-(1H-benzimidazol-2-yl)-1-(furan-2-yl)-1-(1H-imidazol-2-yl)-2-(1H-indol-2-yl)-2-pyridin-2-yl-1-pyrimidin-2-yl-4-quinolin-2-yl-5-thiophen-2-yl-3H-1,3-thiazole
CID 141169766
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 157071189
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;ethane;furan;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;isoquinoline;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline;quinoline;quinoxaline;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;thiophene;bis(1H-1,2,4-triazole)
CID 157087052
benzene;1-benzofuran;1-benzothiophene;cyclopenta-1,3-diene;1,2-dihydrocinnoline;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indene;indolizine;isoquinoline;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;3H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
CID 157091306
ethane;isoquinoline;bis(2-methylpropane);bis(5-methyl-2-propan-2-yl-1H-imidazole);4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1H-pyrazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-diaza-3-azanidacyclopenta-1,4-diene;4-propan-2-yl-1,3-diaza-2-azanidacyclopenta-3,5-diene;4-propan-2-yl-2,3-diaza-1-azanidacyclopenta-2,4-diene;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;5-propan-2-yl-1,2,4-triaza-3-azanidacyclopenta-1,4-diene;quinoline;pentakis(rubidium(1+))
CID 157097324

Frequently Asked Questions

What is the IUPAC name of benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene?
The IUPAC name of benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene (CID 157347978) is benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene.
What is the SMILES notation for benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene?
The canonical SMILES for benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene is 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.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene?
The InChIKey is BHETWANHATUXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.2C7H6N2.C6H6.C5H5N.15C5H12.C4H4N2.C4H5N.C4H4O.C4H4S.C3H4N2.2C3H3NO.2C3H3NS/c2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1;15*1-5(2,3)4;1-2-5-4-6-3-1;3*1-2-4-5-3-1;2*1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1/h2*1-7H;2*1-5H,(H,8,9);1-6H;1-5H;15*1-4H3;1-4H;1-5H;2*1-4H;1-3H,(H,4,5);4*1-3H.
What are the key properties of benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene?
benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 2409.95 g/mol, XLogP of 49.71, 0 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(1H-benzimidazole);pentadecakis(2,2-dimethylpropane);furan;1H-imidazole;1,2-oxazole;1,3-oxazole;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 157347978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).