1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

C185H151N21O5S5 — CID 157161981

IUPAC1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESC1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1cnc2[nH]ccc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2sccc2c1
InChIInChI=1S/3C9H8.9C8H7N.C8H6O.C8H6S.2C7H6N2.4C7H5NO.4C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;4*1-2-7-4-5-9-6-8(7)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1/h3*1-2,4-7H,3H2;3*2-6H,1H2;1-2,4-6H,3H2;3*2-6H,1H2;1,3-6H,2H2;1-6,9H;2*1-6H;1-5,9H;1-5H,(H,8,9);8*1-5H
InChIKeyAMMGSYWMNDLRDI-UHFFFAOYSA-N
MW2908.72 g/mol
LogP32.66
Rot. Bonds

About 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (PubChem CID 157161981) has the molecular formula C185H151N21O5S5 and a molecular weight of 2908.72 g/mol. Its IUPAC name is 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
PubChem CID157161981
Molecular FormulaC185H151N21O5S5
Molecular Weight2908.72 g/mol
Exact Mass2906.08
IUPAC Name1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESC1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1cnc2[nH]ccc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2sccc2c1
InChIInChI=1S/3C9H8.9C8H7N.C8H6O.C8H6S.2C7H6N2.4C7H5NO.4C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;4*1-2-7-4-5-9-6-8(7)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1/h3*1-2,4-7H,3H2;3*2-6H,1H2;1-2,4-6H,3H2;3*2-6H,1H2;1,3-6H,2H2;1-6,9H;2*1-6H;1-5,9H;1-5H,(H,8,9);8*1-5H
InChIKeyAMMGSYWMNDLRDI-UHFFFAOYSA-N
XLogP32.66
TPSA345.09 Ų
H-Bond Donors3
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002908.72
LogP ≤ 532.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1028

Analyze 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
4-[2-(2,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-5-(6-fluoro-1H-indol-4-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine;2-[4-[[2-(2-cyano-1H-indol-3-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropanamide;2-[[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]methyl]-5-(5-fluoro-1H-indol-4-yl)-7-morpholin-4-yl-[1,3]oxazolo[4,5-d]pyrimidine;2-methyl-2-[4-[[5-(2-methyl-1-benzofuran-3-yl)-7-morpholin-4-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]methyl]piperazin-1-yl]propanamide
CID 157947850
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
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
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
N-[2-[4-[4-(5-isocyano-1H-indol-3-yl)butyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]-3-pyridinyl]formamide;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-4-methyl-5-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-methyl-4-phenyl-1,3-thiazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-phenyl-4-(trifluoromethyl)-1,3-oxazole;2-[4-[3-(5-isocyano-1H-indol-3-yl)propyl]piperazin-1-yl]-5-[4-(2,2,3-trifluorobutoxy)phenyl]pyridine-3-carboxamide
CID 160143860
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
6-ethenyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(6-ethenyl-2-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;N-[(4-methoxyphenyl)methyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-amine;6-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridine;2-(4-piperidin-1-ylpiperidin-1-yl)-6-[6-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[4,5-b]pyridine
CID 160676374
1-[2-(1H-benzimidazol-2-yl)acetyl]-5,5-difluoro-N-(4-methylphenyl)piperidine-3-carboxamide;1-[2-(1-benzofuran-2-yl)acetyl]-N-(4-methylphenyl)piperidine-3-carboxamide;5,5-difluoro-N-(4-methylphenyl)-1-(3-pyridin-4-ylbenzoyl)piperidine-3-carboxamide;1-(3H-indole-2-carbonyl)-N-(4-methylphenyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;N-(4-methylphenyl)-1-(2-phenyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 161086765
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 161678402

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The IUPAC name of 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (CID 157161981) is 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.
What is the SMILES notation for 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The canonical SMILES for 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1cnc2[nH]ccc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.
What is the InChIKey of 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The InChIKey is AMMGSYWMNDLRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8.9C8H7N.C8H6O.C8H6S.2C7H6N2.4C7H5NO.4C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;4*1-3-7-4-2-6-9-8(7)5-1;4*1-2-7-4-5-9-6-8(7)3-1;3*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1/h3*1-2,4-7H,3H2;3*2-6H,1H2;1-2,4-6H,3H2;3*2-6H,1H2;1,3-6H,2H2;1-6,9H;2*1-6H;1-5,9H;1-5H,(H,8,9);8*1-5H.
What are the key properties of 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine has a molecular weight of 2908.72 g/mol, XLogP of 32.66, 0 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;1-benzothiophene;5H-cyclopenta[b]pyridine;tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;tris(2H-indene);1H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is sourced from PubChem (CID 157161981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).