2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole

C22H24N2 — CID 139220037

IUPAC2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole
SMILESCC1=Nc2ccc(-c3ccc4c(c3)C(C)(C)C(C)=N4)cc2C1(C)C
InChIInChI=1S/C22H24N2/c1-13-21(3,4)17-11-15(7-9-19(17)23-13)16-8-10-20-18(12-16)22(5,6)14(2)24-20/h7-12H,1-6H3
InChIKeyHFIGWPLGABXLQO-UHFFFAOYSA-N
MW316.45 g/mol
LogP6.12
Rot. Bonds1

About 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole

2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole (PubChem CID 139220037) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole.

Molecular Properties

Compound Name2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole
PubChem CID139220037
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole
SMILESCC1=Nc2ccc(-c3ccc4c(c3)C(C)(C)C(C)=N4)cc2C1(C)C
InChIInChI=1S/C22H24N2/c1-13-21(3,4)17-11-15(7-9-19(17)23-13)16-8-10-20-18(12-16)22(5,6)14(2)24-20/h7-12H,1-6H3
InChIKeyHFIGWPLGABXLQO-UHFFFAOYSA-N
XLogP6.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole?
The IUPAC name of 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole (CID 139220037) is 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole.
What is the SMILES notation for 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole?
The canonical SMILES for 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole is CC1=Nc2ccc(-c3ccc4c(c3)C(C)(C)C(C)=N4)cc2C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole?
The InChIKey is HFIGWPLGABXLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-13-21(3,4)17-11-15(7-9-19(17)23-13)16-8-10-20-18(12-16)22(5,6)14(2)24-20/h7-12H,1-6H3.
What are the key properties of 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole?
2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole has a molecular weight of 316.45 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-5-(2,3,3-trimethylindol-5-yl)indole is sourced from PubChem (CID 139220037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).