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

C25H31N — CID 144605643

IUPAC1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane
SMILESCC.CC.Cc1ccccc1-c1c(C)c2c3ccccc3ccc2n1C
InChIInChI=1S/C21H19N.2C2H6/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;2*1-2/h4-13H,1-3H3;2*1-2H3
InChIKeyMDGFVKRIFOMNIT-UHFFFAOYSA-N
MW345.53 g/mol
LogP7.67
Rot. Bonds1

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

1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane (PubChem CID 144605643) has the molecular formula C25H31N and a molecular weight of 345.53 g/mol. Its IUPAC name is 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane.

Molecular Properties

Compound Name1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane
PubChem CID144605643
Molecular FormulaC25H31N
Molecular Weight345.53 g/mol
Exact Mass345.25
IUPAC Name1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane
SMILESCC.CC.Cc1ccccc1-c1c(C)c2c3ccccc3ccc2n1C
InChIInChI=1S/C21H19N.2C2H6/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;2*1-2/h4-13H,1-3H3;2*1-2H3
InChIKeyMDGFVKRIFOMNIT-UHFFFAOYSA-N
XLogP7.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.53
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole
CID 144605644
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
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
CID 91083814
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
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
1,2-dimethylnaphthalene;ethane
CID 90922397

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane?
The IUPAC name of 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane (CID 144605643) is 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane.
What is the SMILES notation for 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane?
The canonical SMILES for 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane is CC.CC.Cc1ccccc1-c1c(C)c2c3ccccc3ccc2n1C.
What is the InChIKey of 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane?
The InChIKey is MDGFVKRIFOMNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N.2C2H6/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;2*1-2/h4-13H,1-3H3;2*1-2H3.
What are the key properties of 1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane?
1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane has a molecular weight of 345.53 g/mol, XLogP of 7.67, 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;ethane is sourced from PubChem (CID 144605643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).