benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene

C210H222N18O3S3 — CID 160734192

IUPACbenzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C1=CCC=C1.C1=CCC=C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnccn1
InChIInChI=1S/2C10H8.2C9H7N.4C9H8.2C8H6N2.4C8H7N.C8H6O.C8H6S.C7H6N2.C7H5NO.C7H5NS.C6H6.2C5H5N.2C5H6.C4H4N2.C4H4O.C4H4S.13CH4/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;4*1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)5-9-8-7;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-2-4-5-3-1;;;;;;;;;;;;;/h2*1-8H;2*1-7H;4*1-6H,7H2;2*1-6H;1-6,9H;3*1-4,6H,5H2;2*1-6H;1-5H,(H,8,9);2*1-5H;1-6H;2*1-5H;2*1-4H,5H2;1-4H;2*1-4H;13*1H4
InChIKeyRUSRIRDHFQDUMP-UHFFFAOYSA-N
MW3142.41 g/mol
LogP60.08
Rot. Bonds

About benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene

benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene (PubChem CID 160734192) has the molecular formula C210H222N18O3S3 and a molecular weight of 3142.41 g/mol. Its IUPAC name is benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene.

Molecular Properties

Compound Namebenzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene
PubChem CID160734192
Molecular FormulaC210H222N18O3S3
Molecular Weight3142.41 g/mol
Exact Mass3139.69
IUPAC Namebenzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C1=CCC=C1.C1=CCC=C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnccn1
InChIInChI=1S/2C10H8.2C9H7N.4C9H8.2C8H6N2.4C8H7N.C8H6O.C8H6S.C7H6N2.C7H5NO.C7H5NS.C6H6.2C5H5N.2C5H6.C4H4N2.C4H4O.C4H4S.13CH4/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;4*1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)5-9-8-7;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-2-4-5-3-1;;;;;;;;;;;;;/h2*1-8H;2*1-7H;4*1-6H,7H2;2*1-6H;1-6,9H;3*1-4,6H,5H2;2*1-6H;1-5H,(H,8,9);2*1-5H;1-6H;2*1-5H;2*1-4H,5H2;1-4H;2*1-4H;13*1H4
InChIKeyRUSRIRDHFQDUMP-UHFFFAOYSA-N
XLogP60.08
TPSA275.65 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003142.41
LogP ≤ 560.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene with MolForge

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Related Compounds

benzene;1H-benzimidazole;1-benzofuran;2-benzofuran;benzo[h]quinoline;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;bis(cyclopenta-1,3-diene);dibenzofuran;dibenzothiophene;9H-fluorene;furan;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;phenanthrene;1,10-phenanthroline;pyrazine;pyridazine;pyridine;9H-pyrido[2,3-b]indole;pyrimidine;quinazoline;quinoline;quinoxaline;thiophene;1,3,5-triazine
CID 162129655
furan;3H-indole;isoquinoline;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;quinoline;1,3-thiazole;thiophene
CID 158304730
azepane;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzoxazole;cyclobutane;cyclohexane;cyclopenta-1,3-diene;bis(cyclopentane);3,4-dihydro-2H-1,4-benzoxazine;bis(2,3-dihydro-1,3-benzoxazole);bis(3,4-dihydro-2H-chromene);bis(2,3-dihydro-1H-indene);1,4-dioxane;furan;1H-imidazole;1H-indene;1H-indole;3H-indole;isoquinoline;oxane;1,3-oxazole;oxetane;oxolane;piperidine;pyrazine;1H-pyrazole;pyridine;pyrimidine;quinazoline;quinoline;quinoxaline;1,2,3,4-tetrahydronaphthalene;bis(1,2,3,4-tetrahydroquinoline);1,3-thiazole;thiophene
CID 158931826
4aH-carbazole;acridine;2-benzofuran;9H-carbazole;2H-chromene;cinnoline;furan;1H-imidazole;1H-indazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,8-naphthyridine;1,2-oxazole;phenanthridine;phenoxathiine;phthalazine;7H-purine;2H-pyran;pyrazine;pyrazino[2,3-b]pyrazine;1H-pyrazole;pyridazine;pyridine;9H-pyrido[3,4-b]indole;pyrimidine;1H-pyrrole;2H-pyrrole;quinazoline;quinoline;4H-quinolizine;quinoxaline;thianthrene;1,2-thiazole;thiophene;9H-xanthene
CID 158505940
1,3-benzothiazole;icosakis(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiophene
CID 159186770
1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;furan;1H-imidazole;4H-imidazole;1H-indene;3H-indole;methane;naphthalene;1,5-naphthyridine;1,8-naphthyridine;1,2-oxazole;1,3-oxazole;[1,3]oxazolo[4,5-b]pyridine;pyrazine;bis(pyridine);bis(pyrimidine);1H-pyrrole;2H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;[1,3]thiazolo[4,5-b]pyrazine;thieno[3,2-b]thiophene;thiophene
CID 159193094
1H-indene;quinazoline
CID 159761989
5H-cyclopenta[b]pyridine;bis(7H-cyclopenta[b]pyridine);bis(7H-cyclopenta[c]pyridine);hexadecakis(2,2-dimethylpropane);imidazo[1,2-a]pyridine;naphthalene;1H-pyrazolo[5,4-c]pyridine;bis(pyrido[2,3-b]pyrazine);pyrido[3,4-b]pyrazine;3H-pyrrolo[3,2-b]pyridine;2H-pyrrolo[3,4-c]pyridine;3H-pyrrolo[3,2-c]pyridine;quinoline
CID 158640547
cyclopenta-1,3-diene;ethane;3H-indazole;1H-indene;1H-isoindole;isoquinoline;pyrazine;pyridazine;pyridine;pyrimidine;2H-pyrrole;3H-pyrrole;quinoline;quinoxaline;2H-triazole
CID 157381332
1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine
CID 160594777
benzene;ethane;furan;1H-imidazole;pyridine;quinoline;thiophene
CID 158376258
1-benzofuran;1-benzothiophene;1H-indazole;2H-isoindole;7H-purine;quinoline
CID 159084815

Frequently Asked Questions

What is the IUPAC name of benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene?
The IUPAC name of benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene (CID 160734192) is benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene.
What is the SMILES notation for benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene?
The canonical SMILES for benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene is C.C.C.C.C.C.C.C.C.C.C.C.C.C1=CCC=C1.C1=CCC=C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Cc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.C1=Nc2ccccc2C1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnc2cccnc2c1.c1cnccn1.
What is the InChIKey of benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene?
The InChIKey is RUSRIRDHFQDUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H8.2C9H7N.4C9H8.2C8H6N2.4C8H7N.C8H6O.C8H6S.C7H6N2.C7H5NO.C7H5NS.C6H6.2C5H5N.2C5H6.C4H4N2.C4H4O.C4H4S.13CH4/c2*1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;4*1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-9-5-7(8)3-1;3*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-8-6-9-5-7(8)3-1;1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)5-9-8-7;3*1-2-4-6-5-3-1;2*1-2-4-5-3-1;1-2-6-4-3-5-1;2*1-2-4-5-3-1;;;;;;;;;;;;;/h2*1-8H;2*1-7H;4*1-6H,7H2;2*1-6H;1-6,9H;3*1-4,6H,5H2;2*1-6H;1-5H,(H,8,9);2*1-5H;1-6H;2*1-5H;2*1-4H,5H2;1-4H;2*1-4H;13*1H4.
What are the key properties of benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene?
benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene has a molecular weight of 3142.41 g/mol, XLogP of 60.08, 0 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2-benzofuran;2,1-benzothiazole;2-benzothiophene;2,1-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;tetrakis(1H-indene);tris(3H-indole);2H-isoindole;methane;naphthalene;1,5-naphthyridine;pyrazine;bis(pyridine);quinazoline;quinoline;thiophene is sourced from PubChem (CID 160734192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).