1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole

C22H24N2 — CID 20735751

IUPAC1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole
SMILESCc1[nH]c2ccccc2c1/C=C/C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H24N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14,21,23H,1-4H3/b14-13+
InChIKeyNPZLVDFAHKAWQI-BUHFOSPRSA-N
MW316.45 g/mol
LogP5.29
Rot. Bonds2

About 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole

1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole (PubChem CID 20735751) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole
PubChem CID20735751
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole
SMILESCc1[nH]c2ccccc2c1/C=C/C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C22H24N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14,21,23H,1-4H3/b14-13+
InChIKeyNPZLVDFAHKAWQI-BUHFOSPRSA-N
XLogP5.29
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole?
The IUPAC name of 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole (CID 20735751) is 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole.
What is the SMILES notation for 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole?
The canonical SMILES for 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole is Cc1[nH]c2ccccc2c1/C=C/C1N(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole?
The InChIKey is NPZLVDFAHKAWQI-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H24N2/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4/h5-14,21,23H,1-4H3/b14-13+.
What are the key properties of 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole?
1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole has a molecular weight of 316.45 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]-2H-indole is sourced from PubChem (CID 20735751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).