6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene

C114H99N9OS2Se — CID 160526115

IUPAC6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene
SMILESC.C.C.C.C.C.C.c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)nc1[nH]c3ccccc3n12.c1ccc2c(c1)nc1[se]c3ccccc3n12.c1ccc2c(c1)nc1oc3ccccc3n12.c1ccc2c(c1)nc1sc3ccccc3n12
InChIInChI=1S/C24H16.C18H12.C13H9N3.C13H8N2O.C13H8N2S.C13H8N2Se.C13H10S.7CH4/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-11-9(5-1)14-13-15-10-6-2-4-8-12(10)16(11)13;3*1-2-6-10-9(5-1)14-13-15(10)11-7-3-4-8-12(11)16-13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;;;;;;;/h1-16H;1-12H;1-8H,(H,14,15);3*1-8H;1-8H,9H2;7*1H4/b19-17-,20-18-,23-21-,24-22-;;;;;;;;;;;;;
InChIKeyQUXIUISVCDILBU-REPUYCAESA-N
MW1754.20 g/mol
LogP32.61
Rot. Bonds

About 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene

6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene (PubChem CID 160526115) has the molecular formula C114H99N9OS2Se and a molecular weight of 1754.20 g/mol. Its IUPAC name is 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene.

Molecular Properties

Compound Name6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene
PubChem CID160526115
Molecular FormulaC114H99N9OS2Se
Molecular Weight1754.20 g/mol
Exact Mass1753.66
IUPAC Name6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene
SMILESC.C.C.C.C.C.C.c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)nc1[nH]c3ccccc3n12.c1ccc2c(c1)nc1[se]c3ccccc3n12.c1ccc2c(c1)nc1oc3ccccc3n12.c1ccc2c(c1)nc1sc3ccccc3n12
InChIInChI=1S/C24H16.C18H12.C13H9N3.C13H8N2O.C13H8N2S.C13H8N2Se.C13H10S.7CH4/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-11-9(5-1)14-13-15-10-6-2-4-8-12(10)16(11)13;3*1-2-6-10-9(5-1)14-13-15(10)11-7-3-4-8-12(11)16-13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;;;;;;;/h1-16H;1-12H;1-8H,(H,14,15);3*1-8H;1-8H,9H2;7*1H4/b19-17-,20-18-,23-21-,24-22-;;;;;;;;;;;;;
InChIKeyQUXIUISVCDILBU-REPUYCAESA-N
XLogP32.61
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001754.20
LogP ≤ 532.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[2-[6-(5H-benzimidazolo[1,2-a]benzimidazol-2-yl)-9-phenylcarbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-5-yl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 137307916
anthracene;9H-carbazole;dibenzofuran;dibenzoselenophene;dibenzothiophene;1,3-diphenylbenzene;1,4-diphenylbenzene;9H-fluorene;4-phenylquinazoline;pyridine;pyrimidine;tetraphenylene;9H-thioxanthene;triphenylene;9H-xanthene
CID 159784300
4-(4-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2,5,7,9,11,13,15,17,19,21-undecaen-4-yl)benzimidazolo[2,1-b][1,3]benzothiazole;4-(4-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2,5,7,9,11,13,15,17,19,21-undecaen-4-yl)benzimidazolo[2,1-b][1,3]benzoxazole;8-(4-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2,5,7,9,11,13,15,17,19,21-undecaen-4-yl)-[1]benzofuro[2,3-b]pyridine;4-(5H-indeno[1,2-d]pyrimidin-2-yl)-4-azapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(23),2,5,7,9,11,13,15,17,19,21-undecaene
CID 157292864
2,9-di(dibenzofuran-2-yl)benzimidazolo[2,1-b][1,3]benzothiazole
CID 163979910
3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723051
(2E)-2-(2-oxo-1H-indol-3-ylidene)-[1,3]thiazolo[3,2-a]benzimidazol-1-one
CID 680617
8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 146632847
1-(1H-benzimidazol-2-ylmethylsulfanyl)-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
CID 687970
ethane;9-methylbenzimidazolo[2,1-b][1,3]benzothiazole
CID 144782380
1-carbazol-9-yl-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 170777378
9-[6-(3-triphenylen-2-ylphenyl)-9H-fluoren-4-yl]benzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723206
2-methyl-1-phenylimidazo[2,1-b][1,3]benzothiazole
CID 142553581

Frequently Asked Questions

What is the IUPAC name of 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene?
The IUPAC name of 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene (CID 160526115) is 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene.
What is the SMILES notation for 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene?
The canonical SMILES for 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene is C.C.C.C.C.C.C.c1ccc2c(c1)-c1ccccc1-c1ccccc1-c1ccccc1-2.c1ccc2c(c1)Cc1ccccc1S2.c1ccc2c(c1)c1ccccc1c1ccccc21.c1ccc2c(c1)nc1[nH]c3ccccc3n12.c1ccc2c(c1)nc1[se]c3ccccc3n12.c1ccc2c(c1)nc1oc3ccccc3n12.c1ccc2c(c1)nc1sc3ccccc3n12.
What is the InChIKey of 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene?
The InChIKey is QUXIUISVCDILBU-REPUYCAESA-N. The full InChI is InChI=1S/C24H16.C18H12.C13H9N3.C13H8N2O.C13H8N2S.C13H8N2Se.C13H10S.7CH4/c1-2-10-18-17(9-1)19-11-3-4-13-21(19)23-15-7-8-16-24(23)22-14-6-5-12-20(18)22;1-2-8-14-13(7-1)15-9-3-4-11-17(15)18-12-6-5-10-16(14)18;1-3-7-11-9(5-1)14-13-15-10-6-2-4-8-12(10)16(11)13;3*1-2-6-10-9(5-1)14-13-15(10)11-7-3-4-8-12(11)16-13;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;;;;;;;/h1-16H;1-12H;1-8H,(H,14,15);3*1-8H;1-8H,9H2;7*1H4/b19-17-,20-18-,23-21-,24-22-;;;;;;;;;;;;;.
What are the key properties of 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene?
6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene has a molecular weight of 1754.20 g/mol, XLogP of 32.61, 0 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-benzimidazolo[1,2-a]benzimidazole;benzimidazolo[2,1-b][1,3]benzoselenazole;benzimidazolo[2,1-b][1,3]benzothiazole;benzimidazolo[2,1-b][1,3]benzoxazole;methane;tetraphenylene;9H-thioxanthene;triphenylene is sourced from PubChem (CID 160526115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).