[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene

C158H197N5O4S4 — CID 160998487

IUPAC[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3n(C)c12.Cc1ccccc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1oc2ccccc2c1C.Cc1sc2ccccc2c1C.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ncccc12.c1ccncc1
InChIInChI=1S/C14H13N.C13H10.C12H9N.C12H8O.C12H8S.C11H7NO.C11H7NS.C10H10O.C10H10S.C8H10.C6H8O.C6H8S.C5H5N.14C2H6/c1-10-6-5-8-12-11-7-3-4-9-13(11)15(2)14(10)12;1-3-7-12-10(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;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-5-3-4-6-8(7)2;2*1-5-3-4-7-6(5)2;1-2-4-6-5-3-1;14*1-2/h3-9H,1-2H3;1-8H,9H2;1-8,13H;2*1-8H;2*1-7H;2*3-6H,1-2H3;3-6H,1-2H3;2*3-4H,1-2H3;1-5H;14*1-2H3
InChIKeyTVODSBVCJXSSCR-UHFFFAOYSA-N
MW2358.61 g/mol
LogP52.87
Rot. Bonds

About [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene

[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene (PubChem CID 160998487) has the molecular formula C158H197N5O4S4 and a molecular weight of 2358.61 g/mol. Its IUPAC name is [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene.

Molecular Properties

Compound Name[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene
PubChem CID160998487
Molecular FormulaC158H197N5O4S4
Molecular Weight2358.61 g/mol
Exact Mass2356.42
IUPAC Name[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3n(C)c12.Cc1ccccc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1oc2ccccc2c1C.Cc1sc2ccccc2c1C.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ncccc12.c1ccncc1
InChIInChI=1S/C14H13N.C13H10.C12H9N.C12H8O.C12H8S.C11H7NO.C11H7NS.C10H10O.C10H10S.C8H10.C6H8O.C6H8S.C5H5N.14C2H6/c1-10-6-5-8-12-11-7-3-4-9-13(11)15(2)14(10)12;1-3-7-12-10(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;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-5-3-4-6-8(7)2;2*1-5-3-4-7-6(5)2;1-2-4-6-5-3-1;14*1-2/h3-9H,1-2H3;1-8H,9H2;1-8,13H;2*1-8H;2*1-7H;2*3-6H,1-2H3;3-6H,1-2H3;2*3-4H,1-2H3;1-5H;14*1-2H3
InChIKeyTVODSBVCJXSSCR-UHFFFAOYSA-N
XLogP52.87
TPSA111.95 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002358.61
LogP ≤ 552.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene 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 [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene?
The IUPAC name of [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene (CID 160998487) is [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene.
What is the SMILES notation for [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene?
The canonical SMILES for [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1cccc2c3ccccc3n(C)c12.Cc1ccccc1C.Cc1ccoc1C.Cc1ccsc1C.Cc1oc2ccccc2c1C.Cc1sc2ccccc2c1C.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)[nH]c1ccccc12.c1ccc2c(c1)oc1ccccc12.c1ccc2c(c1)oc1ncccc12.c1ccc2c(c1)sc1ccccc12.c1ccc2c(c1)sc1ncccc12.c1ccncc1.
What is the InChIKey of [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene?
The InChIKey is TVODSBVCJXSSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N.C13H10.C12H9N.C12H8O.C12H8S.C11H7NO.C11H7NS.C10H10O.C10H10S.C8H10.C6H8O.C6H8S.C5H5N.14C2H6/c1-10-6-5-8-12-11-7-3-4-9-13(11)15(2)14(10)12;1-3-7-12-10(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;2*1-2-6-10-8(4-1)9-5-3-7-12-11(9)13-10;2*1-7-8(2)11-10-6-4-3-5-9(7)10;1-7-5-3-4-6-8(7)2;2*1-5-3-4-7-6(5)2;1-2-4-6-5-3-1;14*1-2/h3-9H,1-2H3;1-8H,9H2;1-8,13H;2*1-8H;2*1-7H;2*3-6H,1-2H3;3-6H,1-2H3;2*3-4H,1-2H3;1-5H;14*1-2H3.
What are the key properties of [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene?
[1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene has a molecular weight of 2358.61 g/mol, XLogP of 52.87, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[2,3-b]pyridine;[1]benzothiolo[2,3-b]pyridine;9H-carbazole;dibenzofuran;dibenzothiophene;2,3-dimethyl-1-benzofuran;2,3-dimethyl-1-benzothiophene;1,9-dimethylcarbazole;2,3-dimethylfuran;2,3-dimethylthiophene;ethane;9H-fluorene;pyridine;1,2-xylene is sourced from PubChem (CID 160998487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).