3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole

C25H22N2O — CID 7118195

IUPAC3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole
SMILESCCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N2O/c1-2-28-18-13-11-17(12-14-18)25(21-15-26-23-9-5-3-7-19(21)23)22-16-27-24-10-6-4-8-20(22)24/h3-16,25-27H,2H2,1H3
InChIKeyQSHIHSALOSODOM-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.23
Rot. Bonds5

About 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole

3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole (PubChem CID 7118195) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole
PubChem CID7118195
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole
SMILESCCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H22N2O/c1-2-28-18-13-11-17(12-14-18)25(21-15-26-23-9-5-3-7-19(21)23)22-16-27-24-10-6-4-8-20(22)24/h3-16,25-27H,2H2,1H3
InChIKeyQSHIHSALOSODOM-UHFFFAOYSA-N
XLogP6.23
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole (CID 7118195) is 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole is CCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is QSHIHSALOSODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-2-28-18-13-11-17(12-14-18)25(21-15-26-23-9-5-3-7-19(21)23)22-16-27-24-10-6-4-8-20(22)24/h3-16,25-27H,2H2,1H3.
What are the key properties of 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole?
3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 366.46 g/mol, XLogP of 6.23, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxyphenyl)-(1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 7118195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).