tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

C360H304N56O8S8 — CID 158539236

IUPACtris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESC1=CC2C=CNC2C=C1.C1=CC2C=CNC2C=C1.C1=CC2C=CNC2C=C1.C1=CC2C=CNC2N=C1.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=NC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.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.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1
InChIInChI=1S/3C9H8.9C8H7N.3C8H9N.2C8H7N.2C8H6O.2C8H6S.5C7H6N2.C7H8N2.9C7H6N2.6C7H5NO.6C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;4*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;4*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;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;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;1-2,4-6H,3H2;1-7H;3*2-6H,1H2;1,3-6H,2H2;3*1-9H;2*1-6,9H;4*1-6H;1-5,9H;4*1-6H;1-7,9H;1-4H,5H2;2*1-5H,(H,8,9);3*2-5H,1H2;2*1-6H;1-5H,(H,8,9);12*1-5H
InChIKeyHOHWSJNVFJKOPH-UHFFFAOYSA-N
MW5799.31 g/mol
LogP63.63
Rot. Bonds

About tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine

tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (PubChem CID 158539236) has the molecular formula C360H304N56O8S8 and a molecular weight of 5799.31 g/mol. Its IUPAC name is tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine.

Molecular Properties

Compound Nametris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
PubChem CID158539236
Molecular FormulaC360H304N56O8S8
Molecular Weight5799.31 g/mol
Exact Mass5794.29
IUPAC Nametris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine
SMILESC1=CC2C=CNC2C=C1.C1=CC2C=CNC2C=C1.C1=CC2C=CNC2C=C1.C1=CC2C=CNC2N=C1.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=NC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.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.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1
InChIInChI=1S/3C9H8.9C8H7N.3C8H9N.2C8H7N.2C8H6O.2C8H6S.5C7H6N2.C7H8N2.9C7H6N2.6C7H5NO.6C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;4*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;4*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;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;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;1-2,4-6H,3H2;1-7H;3*2-6H,1H2;1,3-6H,2H2;3*1-9H;2*1-6,9H;4*1-6H;1-5,9H;4*1-6H;1-7,9H;1-4H,5H2;2*1-5H,(H,8,9);3*2-5H,1H2;2*1-6H;1-5H,(H,8,9);12*1-5H
InChIKeyHOHWSJNVFJKOPH-UHFFFAOYSA-N
XLogP63.63
TPSA780.50 Ų
H-Bond Donors10
H-Bond Acceptors66
Rotatable Bonds
Heavy Atoms432
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005799.31
LogP ≤ 563.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1066

Analyze tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(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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Frequently Asked Questions

What is the IUPAC name of tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The IUPAC name of tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine (CID 158539236) is tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(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 tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The canonical SMILES for tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine is C1=CC2C=CNC2C=C1.C1=CC2C=CNC2C=C1.C1=CC2C=CNC2C=C1.C1=CC2C=CNC2N=C1.C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2ccccc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=CC1.C1=c2cccnc2=NC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2ccncc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.C1=c2cncnc2=CC1.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.c1cnc2ccsc2c1.c1cnc2occc2c1.c1cnc2occc2c1.c1cnc2sccc2c1.c1cnc2sccc2c1.c1cnn2cccc2c1.
What is the InChIKey of tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
The InChIKey is HOHWSJNVFJKOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H8.9C8H7N.3C8H9N.2C8H7N.2C8H6O.2C8H6S.5C7H6N2.C7H8N2.9C7H6N2.6C7H5NO.6C7H5NS/c3*1-2-5-9-7-3-6-8(9)4-1;4*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;4*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;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;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;1-2,4-6H,3H2;1-7H;3*2-6H,1H2;1,3-6H,2H2;3*1-9H;2*1-6,9H;4*1-6H;1-5,9H;4*1-6H;1-7,9H;1-4H,5H2;2*1-5H,(H,8,9);3*2-5H,1H2;2*1-6H;1-5H,(H,8,9);12*1-5H.
What are the key properties of tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(thieno[2,3-b]pyridine);thieno[3,2-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine?
tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(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 5799.31 g/mol, XLogP of 63.63, 0 rotatable bonds, 10 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3a,7a-dihydro-1H-indole);3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;1H-benzimidazole;bis(1-benzofuran);1,3-benzothiazole;bis(1-benzothiophene);1,3-benzoxazole;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);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);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);2H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;pyrrolo[1,2-c]pyrimidine;bis(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 158539236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).