1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

C403H331N65O9S9 — CID 159877693

IUPAC1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESC1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2ncccc2=NC1.C1=c2ncccc2=NC1.c1cc2cc[nH]c2cn1.c1cc2ccncn2c1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnccn2c1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cccn2c1.c1cnc2ccoc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1
InChIInChI=1S/3C9H8.15C8H7N.2C8H6O.2C8H6S.18C7H6N2.7C7H5NO.7C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;5*1-3-7-4-2-6-9-8(7)5-1;1-2-6-9-7-3-5-8(9)4-1;4*1-2-7-4-5-9-6-8(7)3-1;9*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-7-3-4-8-6-9(7)5-1;1-2-7-6-8-3-5-9(7)4-1;2*1-2-6-7(8-4-1)3-5-9-6;5*1-2-6-3-5-9-7(6)8-4-1;3*1-2-6-4-8-5-9-7(6)3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;2*1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;2*1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7/h3*1-2,4-7H,3H2;3*2-6H,1H2;2*1-2,4-6H,3H2;1-7H;3*2-6H,1H2;1,3-6H,2H2;3*1-5H,6H2;2*1-6,9H;4*1-6H;1-5,9H;4*1-6H;5*1-4H,5H2;2*1-5H,(H,8,9);3*2-5H,1H2;2*1-6H;1-5H,(H,8,9);14*1-5H
InChIKeyNTCUSHIQBGONBE-UHFFFAOYSA-N
MW6517.13 g/mol
LogP63.36
Rot. Bonds

About 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (PubChem CID 159877693) has the molecular formula C403H331N65O9S9 and a molecular weight of 6517.13 g/mol. Its IUPAC name is 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.

Molecular Properties

Compound Name1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
PubChem CID159877693
Molecular FormulaC403H331N65O9S9
Molecular Weight6517.13 g/mol
Exact Mass6511.49
IUPAC Name1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESC1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2ncccc2=NC1.C1=c2ncccc2=NC1.c1cc2cc[nH]c2cn1.c1cc2ccncn2c1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnccn2c1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cccn2c1.c1cnc2ccoc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1
InChIInChI=1S/3C9H8.15C8H7N.2C8H6O.2C8H6S.18C7H6N2.7C7H5NO.7C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;5*1-3-7-4-2-6-9-8(7)5-1;1-2-6-9-7-3-5-8(9)4-1;4*1-2-7-4-5-9-6-8(7)3-1;9*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-7-3-4-8-6-9(7)5-1;1-2-7-6-8-3-5-9(7)4-1;2*1-2-6-7(8-4-1)3-5-9-6;5*1-2-6-3-5-9-7(6)8-4-1;3*1-2-6-4-8-5-9-7(6)3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;2*1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;2*1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7/h3*1-2,4-7H,3H2;3*2-6H,1H2;2*1-2,4-6H,3H2;1-7H;3*2-6H,1H2;1,3-6H,2H2;3*1-5H,6H2;2*1-6,9H;4*1-6H;1-5,9H;4*1-6H;5*1-4H,5H2;2*1-5H,(H,8,9);3*2-5H,1H2;2*1-6H;1-5H,(H,8,9);14*1-5H
InChIKeyNTCUSHIQBGONBE-UHFFFAOYSA-N
XLogP63.36
TPSA909.91 Ų
H-Bond Donors6
H-Bond Acceptors77
Rotatable Bonds
Heavy Atoms486
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5006517.13
LogP ≤ 563.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1077

Analyze 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The IUPAC name of 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (CID 159877693) is 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.
What is the SMILES notation for 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The canonical SMILES for 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2ccccc2=NC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2cccnc2=NC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2ncccc2=NC1.C1=c2ncccc2=NC1.c1cc2cc[nH]c2cn1.c1cc2ccncn2c1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnccn2c1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2occc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ccc2c1.c1cnc2cccn2c1.c1cnc2ccoc2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1.
What is the InChIKey of 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The InChIKey is NTCUSHIQBGONBE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8.15C8H7N.2C8H6O.2C8H6S.18C7H6N2.7C7H5NO.7C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;5*1-3-7-4-2-6-9-8(7)5-1;1-2-6-9-7-3-5-8(9)4-1;4*1-2-7-4-5-9-6-8(7)3-1;9*1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-7-3-4-8-6-9(7)5-1;1-2-7-6-8-3-5-9(7)4-1;2*1-2-6-7(8-4-1)3-5-9-6;5*1-2-6-3-5-9-7(6)8-4-1;3*1-2-6-4-8-5-9-7(6)3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;2*1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;2*1-2-7-6(8-4-1)3-5-9-7;2*1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7/h3*1-2,4-7H,3H2;3*2-6H,1H2;2*1-2,4-6H,3H2;1-7H;3*2-6H,1H2;1,3-6H,2H2;3*1-5H,6H2;2*1-6,9H;4*1-6H;1-5,9H;4*1-6H;5*1-4H,5H2;2*1-5H,(H,8,9);3*2-5H,1H2;2*1-6H;1-5H,(H,8,9);14*1-5H.
What are the key properties of 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine has a molecular weight of 6517.13 g/mol, XLogP of 63.36, 0 rotatable bonds, 6 hydrogen bond donors, and 77 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;bis(5H-cyclopenta[b]pyridine);tris(6H-cyclopenta[b]pyridine);5H-cyclopenta[c]pyridine;tris(6H-cyclopenta[c]pyridine);tris(6H-cyclopenta[d]pyrimidine);bis(furo[2,3-b]pyridine);bis(furo[3,2-b]pyridine);furo[2,3-c]pyridine;furo[3,2-c]pyridine;imidazo[1,2-a]pyridine;tris(2H-indene);bis(1H-indole);tris(2H-indole);indolizine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;bis(1H-pyrrolo[2,3-b]pyridine);tris(2H-pyrrolo[2,3-b]pyridine);bis(2H-pyrrolo[3,2-b]pyridine);1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);bis(thieno[3,2-b]pyridine);thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is sourced from PubChem (CID 159877693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).