2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole

C74H64N6S — CID 161409686

IUPAC2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole
SMILESCC1=Nc2c(ccc3ccccc23)C1.CC1=Nc2cc3ccccc3cc2C1.CC1=Nc2cc3ccccc3cc2C1.CC1=Nc2ccc(C)cc2C1.CC1=Nc2ccc3ccccc3c2C1.Cc1nc2ccc3ccccc3c2s1
InChIInChI=1S/4C13H11N.C12H9NS.C10H11N/c2*1-9-6-12-7-10-4-2-3-5-11(10)8-13(12)14-9;1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14-9;1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14-9;1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8;1-7-3-4-10-9(5-7)6-8(2)11-10/h2*2-5,7-8H,6H2,1H3;2*2-7H,8H2,1H3;2-7H,1H3;3-5H,6H2,1-2H3
InChIKeyVVHMVIHUHSOVLX-UHFFFAOYSA-N
MW1069.43 g/mol
LogP20.35
Rot. Bonds

About 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole

2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole (PubChem CID 161409686) has the molecular formula C74H64N6S and a molecular weight of 1069.43 g/mol. Its IUPAC name is 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole.

Molecular Properties

Compound Name2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole
PubChem CID161409686
Molecular FormulaC74H64N6S
Molecular Weight1069.43 g/mol
Exact Mass1068.49
IUPAC Name2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole
SMILESCC1=Nc2c(ccc3ccccc23)C1.CC1=Nc2cc3ccccc3cc2C1.CC1=Nc2cc3ccccc3cc2C1.CC1=Nc2ccc(C)cc2C1.CC1=Nc2ccc3ccccc3c2C1.Cc1nc2ccc3ccccc3c2s1
InChIInChI=1S/4C13H11N.C12H9NS.C10H11N/c2*1-9-6-12-7-10-4-2-3-5-11(10)8-13(12)14-9;1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14-9;1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14-9;1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8;1-7-3-4-10-9(5-7)6-8(2)11-10/h2*2-5,7-8H,6H2,1H3;2*2-7H,8H2,1H3;2-7H,1H3;3-5H,6H2,1-2H3
InChIKeyVVHMVIHUHSOVLX-UHFFFAOYSA-N
XLogP20.35
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.43
LogP ≤ 520.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole?
The IUPAC name of 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole (CID 161409686) is 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole.
What is the SMILES notation for 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole?
The canonical SMILES for 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole is CC1=Nc2c(ccc3ccccc23)C1.CC1=Nc2cc3ccccc3cc2C1.CC1=Nc2cc3ccccc3cc2C1.CC1=Nc2ccc(C)cc2C1.CC1=Nc2ccc3ccccc3c2C1.Cc1nc2ccc3ccccc3c2s1.
What is the InChIKey of 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole?
The InChIKey is VVHMVIHUHSOVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H11N.C12H9NS.C10H11N/c2*1-9-6-12-7-10-4-2-3-5-11(10)8-13(12)14-9;1-9-8-11-7-6-10-4-2-3-5-12(10)13(11)14-9;1-9-8-12-11-5-3-2-4-10(11)6-7-13(12)14-9;1-8-13-11-7-6-9-4-2-3-5-10(9)12(11)14-8;1-7-3-4-10-9(5-7)6-8(2)11-10/h2*2-5,7-8H,6H2,1H3;2*2-7H,8H2,1H3;2-7H,1H3;3-5H,6H2,1-2H3.
What are the key properties of 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole?
2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole has a molecular weight of 1069.43 g/mol, XLogP of 20.35, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3H-indole;2-methyl-1H-benzo[e]indole;bis(2-methyl-3H-benzo[f]indole);2-methylbenzo[g][1,3]benzothiazole;2-methyl-3H-benzo[g]indole is sourced from PubChem (CID 161409686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).