1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C231H175N27O5S5 — CID 157183181

IUPAC1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=Cc2ccccc2C1.c1cc2[nH]c3ccncc3c2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ncccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2ccccc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2c(c1)Cc1cccnc1-2.c1cnc2cccnc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C13H10.C12H9N.C12H8O.C12H8S.2C11H8N2.C10H7N3.C10H8.C9H7N.C9H8.4C8H6N2.2C8H7N.2C8H6O.2C8H6S.2C7H6N2.2C7H5NO.2C7H5NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-8-7-9-4-2-6-13-11(9)10(8)12-5-1;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(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;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7/h1-8H,9H2;1-8,13H;2*1-8H;1-6H,7H2;1-7H,(H,12,13);1-6,13H;1-8H;1-7H;1-6H,7H2;4*1-6H;2*1-6,9H;4*1-6H;2*1-5H,(H,8,9);4*1-5H
InChIKeyAOULCKYKWQGITF-UHFFFAOYSA-N
MW3569.46 g/mol
LogP61.32
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 157183181) has the molecular formula C231H175N27O5S5 and a molecular weight of 3569.46 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID157183181
Molecular FormulaC231H175N27O5S5
Molecular Weight3569.46 g/mol
Exact Mass3566.29
IUPAC Name1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESC1=Cc2ccccc2C1.c1cc2[nH]c3ccncc3c2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ncccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2ccccc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2c(c1)Cc1cccnc1-2.c1cnc2cccnc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C13H10.C12H9N.C12H8O.C12H8S.2C11H8N2.C10H7N3.C10H8.C9H7N.C9H8.4C8H6N2.2C8H7N.2C8H6O.2C8H6S.2C7H6N2.2C7H5NO.2C7H5NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-8-7-9-4-2-6-13-11(9)10(8)12-5-1;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(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;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7/h1-8H,9H2;1-8,13H;2*1-8H;1-6H,7H2;1-7H,(H,12,13);1-6,13H;1-8H;1-7H;1-6H,7H2;4*1-6H;2*1-6,9H;4*1-6H;2*1-5H,(H,8,9);4*1-5H
InChIKeyAOULCKYKWQGITF-UHFFFAOYSA-N
XLogP61.32
TPSA434.03 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003569.46
LogP ≤ 561.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 157183181) is 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C1=Cc2ccccc2C1.c1cc2[nH]c3ccncc3c2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)[nH]c1ncccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c[nH]cc2c1.c1ccc2ccccc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1cnc2c(c1)Cc1cccnc1-2.c1cnc2cccnc2c1.c1cnc2ncccc2c1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is AOULCKYKWQGITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C12H9N.C12H8O.C12H8S.2C11H8N2.C10H7N3.C10H8.C9H7N.C9H8.4C8H6N2.2C8H7N.2C8H6O.2C8H6S.2C7H6N2.2C7H5NO.2C7H5NS/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;3*1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-8-7-9-4-2-6-13-11(9)10(8)12-5-1;1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(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;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7/h1-8H,9H2;1-8,13H;2*1-8H;1-6H,7H2;1-7H,(H,12,13);1-6,13H;1-8H;1-7H;1-6H,7H2;4*1-6H;2*1-6,9H;4*1-6H;2*1-5H,(H,8,9);4*1-5H.
What are the key properties of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 3569.46 g/mol, XLogP of 61.32, 0 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;2-benzofuran;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,3-benzoxazole;2,1-benzoxazole;9H-carbazole;3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;dibenzofuran;dibenzothiophene;9H-fluorene;1H-indazole;1H-indene;1H-indole;2H-isoindole;naphthalene;1,5-naphthyridine;1,8-naphthyridine;9H-pyrido[2,3-b]indole;quinazoline;quinoline;quinoxaline;4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 157183181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).