2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole

C158H128N20O2S2 — CID 158901842

IUPAC2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole
SMILESCc1ccc2[nH]c3cncnc3c2c1.Cc1ccc2[nH]c3nccnc3c2c1.Cc1ccc2[nH]c3ncncc3c2c1.Cc1ccc2c(c1)-c1ccccc1C2.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1ccc2c(c1)[nH]c1cccnc12.Cc1ccc2c(c1)[nH]c1cncnc12.Cc1ccc2c(c1)[nH]c1nccnc12.Cc1ccc2c(c1)[nH]c1ncncc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/2C14H12.2C13H10O.2C13H10S.C12H10N2.6C11H9N3/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-8-4-5-9-11(7-8)14-10-3-2-6-13-12(9)10;1-7-2-3-10-8(4-7)9-5-12-6-13-11(9)14-10;1-7-2-3-9-8(4-7)11-10(14-9)5-12-6-13-11;1-7-2-3-8-9-5-12-6-13-11(9)14-10(8)4-7;1-7-2-3-8-9(4-7)14-10-5-12-6-13-11(8)10;1-7-2-3-9-8(6-7)10-11(14-9)13-5-4-12-10;1-7-2-3-8-9(6-7)14-11-10(8)12-4-5-13-11/h2*2-8H,9H2,1H3;4*2-8H,1H3;2-7,14H,1H3;2-6H,1H3,(H,12,13,14);2-6,14H,1H3;2-6H,1H3,(H,12,13,14);2-6,14H,1H3;2*2-6H,1H3,(H,13,14)
InChIKeyJFNWDEVGACSCOA-UHFFFAOYSA-N
MW2403.03 g/mol
LogP41.19
Rot. Bonds

About 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole

2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole (PubChem CID 158901842) has the molecular formula C158H128N20O2S2 and a molecular weight of 2403.03 g/mol. Its IUPAC name is 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole.

Molecular Properties

Compound Name2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole
PubChem CID158901842
Molecular FormulaC158H128N20O2S2
Molecular Weight2403.03 g/mol
Exact Mass2401.00
IUPAC Name2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole
SMILESCc1ccc2[nH]c3cncnc3c2c1.Cc1ccc2[nH]c3nccnc3c2c1.Cc1ccc2[nH]c3ncncc3c2c1.Cc1ccc2c(c1)-c1ccccc1C2.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1ccc2c(c1)[nH]c1cccnc12.Cc1ccc2c(c1)[nH]c1cncnc12.Cc1ccc2c(c1)[nH]c1nccnc12.Cc1ccc2c(c1)[nH]c1ncncc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1
InChIInChI=1S/2C14H12.2C13H10O.2C13H10S.C12H10N2.6C11H9N3/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-8-4-5-9-11(7-8)14-10-3-2-6-13-12(9)10;1-7-2-3-10-8(4-7)9-5-12-6-13-11(9)14-10;1-7-2-3-9-8(4-7)11-10(14-9)5-12-6-13-11;1-7-2-3-8-9-5-12-6-13-11(9)14-10(8)4-7;1-7-2-3-8-9(4-7)14-10-5-12-6-13-11(8)10;1-7-2-3-9-8(6-7)10-11(14-9)13-5-4-12-10;1-7-2-3-8-9(6-7)14-11-10(8)12-4-5-13-11/h2*2-8H,9H2,1H3;4*2-8H,1H3;2-7,14H,1H3;2-6H,1H3,(H,12,13,14);2-6,14H,1H3;2-6H,1H3,(H,12,13,14);2-6,14H,1H3;2*2-6H,1H3,(H,13,14)
InChIKeyJFNWDEVGACSCOA-UHFFFAOYSA-N
XLogP41.19
TPSA304.38 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002403.03
LogP ≤ 541.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole 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 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole?
The IUPAC name of 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole (CID 158901842) is 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole.
What is the SMILES notation for 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole?
The canonical SMILES for 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole is Cc1ccc2[nH]c3cncnc3c2c1.Cc1ccc2[nH]c3nccnc3c2c1.Cc1ccc2[nH]c3ncncc3c2c1.Cc1ccc2c(c1)-c1ccccc1C2.Cc1ccc2c(c1)Cc1ccccc1-2.Cc1ccc2c(c1)[nH]c1cccnc12.Cc1ccc2c(c1)[nH]c1cncnc12.Cc1ccc2c(c1)[nH]c1nccnc12.Cc1ccc2c(c1)[nH]c1ncncc12.Cc1ccc2c(c1)oc1ccccc12.Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2oc3ccccc3c2c1.Cc1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole?
The InChIKey is JFNWDEVGACSCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H12.2C13H10O.2C13H10S.C12H10N2.6C11H9N3/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)14;1-10-6-7-12-9-11-4-2-3-5-13(11)14(12)8-10;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9;1-8-4-5-9-11(7-8)14-10-3-2-6-13-12(9)10;1-7-2-3-10-8(4-7)9-5-12-6-13-11(9)14-10;1-7-2-3-9-8(4-7)11-10(14-9)5-12-6-13-11;1-7-2-3-8-9-5-12-6-13-11(9)14-10(8)4-7;1-7-2-3-8-9(4-7)14-10-5-12-6-13-11(8)10;1-7-2-3-9-8(6-7)10-11(14-9)13-5-4-12-10;1-7-2-3-8-9(6-7)14-11-10(8)12-4-5-13-11/h2*2-8H,9H2,1H3;4*2-8H,1H3;2-7,14H,1H3;2-6H,1H3,(H,12,13,14);2-6,14H,1H3;2-6H,1H3,(H,12,13,14);2-6,14H,1H3;2*2-6H,1H3,(H,13,14).
What are the key properties of 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole?
2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole has a molecular weight of 2403.03 g/mol, XLogP of 41.19, 0 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyldibenzofuran;3-methyldibenzofuran;2-methyldibenzothiophene;3-methyldibenzothiophene;2-methyl-9H-fluorene;3-methyl-9H-fluorene;7-methyl-5H-pyrazino[2,3-b]indole;8-methyl-5H-pyrazino[2,3-b]indole;7-methyl-5H-pyrido[3,2-b]indole;6-methyl-9H-pyrimido[4,5-b]indole;7-methyl-5H-pyrimido[5,4-b]indole;7-methyl-9H-pyrimido[4,5-b]indole;8-methyl-5H-pyrimido[5,4-b]indole is sourced from PubChem (CID 158901842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).