1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole

C21H19N — CID 144605644

IUPAC1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole
SMILESCc1ccccc1-c1c(C)c2c3ccccc3ccc2n1C
InChIInChI=1S/C21H19N/c1-14-8-4-6-10-17(14)21-15(2)20-18-11-7-5-9-16(18)12-13-19(20)22(21)3/h4-13H,1-3H3
InChIKeyGSAUOHILJMFDDD-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.62
Rot. Bonds1

About 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole

1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole (PubChem CID 144605644) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole
PubChem CID144605644
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole
SMILESCc1ccccc1-c1c(C)c2c3ccccc3ccc2n1C
InChIInChI=1S/C21H19N/c1-14-8-4-6-10-17(14)21-15(2)20-18-11-7-5-9-16(18)12-13-19(20)22(21)3/h4-13H,1-3H3
InChIKeyGSAUOHILJMFDDD-UHFFFAOYSA-N
XLogP5.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane
CID 144605643
ethene;12-methyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 145210762
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
1,3-dimethyl-2-(2-methylphenyl)pyrrolo[3,2-c]pyridine
CID 101004021
25-methyl-25-azahexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene
CID 130325653
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
14-methyl-9,9-diphenyl-14-aza-9-silahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 140775274
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
CID 91083814
3-methyl-1,2-di(propan-2-yl)benzo[e]indole
CID 169016375
5-methoxy-4-(methoxymethoxy)-2-(2-methoxyphenyl)-1,3-dimethylindole
CID 10065905
1-(2-methylphenyl)picene
CID 173138076
3-(2,6-dimethylphenyl)-1-methyl-2-(2-methylphenyl)benzo[e]benzimidazol-1-ium
CID 140708142

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole?
The IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole (CID 144605644) is 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole.
What is the SMILES notation for 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole?
The canonical SMILES for 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole is Cc1ccccc1-c1c(C)c2c3ccccc3ccc2n1C.
What is the InChIKey of 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole?
The InChIKey is GSAUOHILJMFDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-14-8-4-6-10-17(14)21-15(2)20-18-11-7-5-9-16(18)12-13-19(20)22(21)3/h4-13H,1-3H3.
What are the key properties of 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole?
1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole has a molecular weight of 285.39 g/mol, XLogP of 5.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole is sourced from PubChem (CID 144605644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).