3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole

C20H22N2 — CID 126502983

IUPAC3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole
SMILESCCc1cccc2c(C3Nc4ccccc4C3(C)C)c[nH]c12
InChIInChI=1S/C20H22N2/c1-4-13-8-7-9-14-15(12-21-18(13)14)19-20(2,3)16-10-5-6-11-17(16)22-19/h5-12,19,21-22H,4H2,1-3H3
InChIKeySGGYTNNTVZJGTH-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.17
Rot. Bonds2

About 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole

3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole (PubChem CID 126502983) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole.

Molecular Properties

Compound Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole
PubChem CID126502983
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole
SMILESCCc1cccc2c(C3Nc4ccccc4C3(C)C)c[nH]c12
InChIInChI=1S/C20H22N2/c1-4-13-8-7-9-14-15(12-21-18(13)14)19-20(2,3)16-10-5-6-11-17(16)22-19/h5-12,19,21-22H,4H2,1-3H3
InChIKeySGGYTNNTVZJGTH-UHFFFAOYSA-N
XLogP5.17
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole?
The IUPAC name of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole (CID 126502983) is 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole.
What is the SMILES notation for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole?
The canonical SMILES for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole is CCc1cccc2c(C3Nc4ccccc4C3(C)C)c[nH]c12.
What is the InChIKey of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole?
The InChIKey is SGGYTNNTVZJGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-4-13-8-7-9-14-15(12-21-18(13)14)19-20(2,3)16-10-5-6-11-17(16)22-19/h5-12,19,21-22H,4H2,1-3H3.
What are the key properties of 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole?
3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole has a molecular weight of 290.41 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-1,2-dihydroindol-2-yl)-7-ethyl-1H-indole is sourced from PubChem (CID 126502983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).