3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole

C29H27N3 — CID 13205591

IUPAC3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
SMILESCn1cc(C(C)(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C29H27N3/c1-29(23-17-30(2)26-14-8-5-11-20(23)26,24-18-31(3)27-15-9-6-12-21(24)27)25-19-32(4)28-16-10-7-13-22(25)28/h5-19H,1-4H3
InChIKeyQFRZAGSYGOQPPT-UHFFFAOYSA-N
MW417.56 g/mol
LogP6.52
Rot. Bonds3

About 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole

3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole (PubChem CID 13205591) has the molecular formula C29H27N3 and a molecular weight of 417.56 g/mol. Its IUPAC name is 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole.

Molecular Properties

Compound Name3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
PubChem CID13205591
Molecular FormulaC29H27N3
Molecular Weight417.56 g/mol
Exact Mass417.22
IUPAC Name3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole
SMILESCn1cc(C(C)(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C29H27N3/c1-29(23-17-30(2)26-14-8-5-11-20(23)26,24-18-31(3)27-15-9-6-12-21(24)27)25-19-32(4)28-16-10-7-13-22(25)28/h5-19H,1-4H3
InChIKeyQFRZAGSYGOQPPT-UHFFFAOYSA-N
XLogP6.52
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole?
The IUPAC name of 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole (CID 13205591) is 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole.
What is the SMILES notation for 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole?
The canonical SMILES for 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole is Cn1cc(C(C)(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)c2ccccc21.
What is the InChIKey of 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole?
The InChIKey is QFRZAGSYGOQPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3/c1-29(23-17-30(2)26-14-8-5-11-20(23)26,24-18-31(3)27-15-9-6-12-21(24)27)25-19-32(4)28-16-10-7-13-22(25)28/h5-19H,1-4H3.
What are the key properties of 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole?
3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole has a molecular weight of 417.56 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1-bis(1-methylindol-3-yl)ethyl]-1-methylindole is sourced from PubChem (CID 13205591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).