1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole

C29H28N2 — CID 54192979

IUPAC1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole
SMILESCCn1c(C)c(C=Cc2c(-c3ccccc3)n(CC)c3ccccc23)c2ccccc21
InChIInChI=1S/C29H28N2/c1-4-30-21(3)23(24-15-9-11-17-27(24)30)19-20-26-25-16-10-12-18-28(25)31(5-2)29(26)22-13-7-6-8-14-22/h6-20H,4-5H2,1-3H3
InChIKeyPJUJTOWQGKWNQX-UHFFFAOYSA-N
MW404.56 g/mol
LogP7.78
Rot. Bonds5

About 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole

1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole (PubChem CID 54192979) has the molecular formula C29H28N2 and a molecular weight of 404.56 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole.

Molecular Properties

Compound Name1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole
PubChem CID54192979
Molecular FormulaC29H28N2
Molecular Weight404.56 g/mol
Exact Mass404.23
IUPAC Name1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole
SMILESCCn1c(C)c(C=Cc2c(-c3ccccc3)n(CC)c3ccccc23)c2ccccc21
InChIInChI=1S/C29H28N2/c1-4-30-21(3)23(24-15-9-11-17-27(24)30)19-20-26-25-16-10-12-18-28(25)31(5-2)29(26)22-13-7-6-8-14-22/h6-20H,4-5H2,1-3H3
InChIKeyPJUJTOWQGKWNQX-UHFFFAOYSA-N
XLogP7.78
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.56
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole?
The IUPAC name of 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole (CID 54192979) is 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole.
What is the SMILES notation for 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole?
The canonical SMILES for 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole is CCn1c(C)c(C=Cc2c(-c3ccccc3)n(CC)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole?
The InChIKey is PJUJTOWQGKWNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2/c1-4-30-21(3)23(24-15-9-11-17-27(24)30)19-20-26-25-16-10-12-18-28(25)31(5-2)29(26)22-13-7-6-8-14-22/h6-20H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole?
1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole has a molecular weight of 404.56 g/mol, XLogP of 7.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1-ethyl-2-methylindol-3-yl)ethenyl]-2-phenylindole is sourced from PubChem (CID 54192979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).