benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene

C231H229N25O12S4 — CID 158108363

About benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene

benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene (PubChem CID 158108363) has the molecular formula C231H229N25O12S4 and a molecular weight of 3675.80 g/mol. Its IUPAC name is benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene.

Molecular Properties

• Compound Name: benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene
• PubChem CID: 158108363
• Molecular Formula: C231H229N25O12S4
• Molecular Weight: 3675.80 g/mol
• Exact Mass: 3672.70
• IUPAC Name: benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene
• SMILES: C.C.C.C.C1=CCCCC1.C1=Cc2ccccc2NC1.c1cc2ccsc2cn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CNC2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCO2.c1ccc2c(c1)OCCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)oc1ccccc12.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccn2cccc2c1.c1ccncc1.c1ccsc1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2c1.c1cscn1
• InChI: InChI=1S/C12H8O.C10H8.C9H9N.2C9H7N.C9H10O2.C9H10O.C9H10.C8H6N2.2C8H9NO.C8H7N.2C8H9N.C8H8O2.C8H8O.2C8H6O.2C7H6N2.C7H7NO.2C7H5NS.2C6H5N3.C6H10.C6H6.C5H5N.C4H4S.C3H3NS.4CH4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;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;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8;2*1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-4-8-9-6(5)7-3-1;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;;;;/h1-8H;1-8H;1-6,10H,7H2;2*1-7H;1-2,4-5H,3,6-7H2;1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;1-6H;2*1-4,9H,5-6H2;1-7H;2*1-4,9H,5-6H2;1-4H,5-6H2;1-4H,5-6H2;2*1-6H;2*1-5H,(H,8,9);1-4,8H,5H2;2*1-5H;2*1-4H,(H,7,8,9);1-2H,3-6H2;1-6H;1-5H;1-4H;1-3H;4*1H4
• InChIKey: FQCOWTIBEKMQNU-UHFFFAOYSA-N
• XLogP: 57.90
• TPSA: 442.70 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3675.80
LogP ≤ 5	57.90
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene?

The IUPAC name of benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene (CID 158108363) is benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene.

What is the SMILES notation for benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene?

The canonical SMILES for benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene is C.C.C.C.C1=CCCCC1.C1=Cc2ccccc2NC1.c1cc2ccsc2cn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CNC2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCO2.c1ccc2c(c1)OCCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)oc1ccccc12.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2scnc2c1.c1ccccc1.c1ccn2cccc2c1.c1ccncc1.c1ccsc1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2c1.c1cscn1.

What is the InChIKey of benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene?

The InChIKey is FQCOWTIBEKMQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O.C10H8.C9H9N.2C9H7N.C9H10O2.C9H10O.C9H10.C8H6N2.2C8H9NO.C8H7N.2C8H9N.C8H8O2.C8H8O.2C8H6O.2C7H6N2.C7H7NO.2C7H5NS.2C6H5N3.C6H10.C6H6.C5H5N.C4H4S.C3H3NS.4CH4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;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;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)5-9-6-10-8;2*1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-7(3-1)9-5-6-10-8;3*1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-4-7-6(3-1)8-5-9-7;2*1-2-5-4-8-9-6(5)7-3-1;3*1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;;;;/h1-8H;1-8H;1-6,10H,7H2;2*1-7H;1-2,4-5H,3,6-7H2;1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;1-6H;2*1-4,9H,5-6H2;1-7H;2*1-4,9H,5-6H2;1-4H,5-6H2;1-4H,5-6H2;2*1-6H;2*1-5H,(H,8,9);1-4,8H,5H2;2*1-5H;2*1-4H,(H,7,8,9);1-2H,3-6H2;1-6H;1-5H;1-4H;1-3H;4*1H4.

What are the key properties of benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene?

benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene has a molecular weight of 3675.80 g/mol, XLogP of 57.90, 0 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;cyclohexene;dibenzofuran;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;bis(3,4-dihydro-2H-1,4-benzoxazine);2,3-dihydro-1,3-benzoxazole;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1,2-dihydroquinoline;1H-indazole;indolizine;isoquinoline;methane;naphthalene;bis(1H-pyrazolo[5,4-b]pyridine);pyridine;quinazoline;quinoline;1,3-thiazole;thieno[2,3-c]pyridine;thiophene is sourced from PubChem (CID 158108363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).