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

C24H20N2O — CID 11371604

IUPAC3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20N2O/c1-27-17-12-10-16(11-13-17)24(20-14-25-22-8-4-2-6-18(20)22)21-15-26-23-9-5-3-7-19(21)23/h2-15,24-26H,1H3
InChIKeyZCCMKJAXOIFTHH-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.84
Rot. Bonds4

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

3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole (PubChem CID 11371604) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole
PubChem CID11371604
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20N2O/c1-27-17-12-10-16(11-13-17)24(20-14-25-22-8-4-2-6-18(20)22)21-15-26-23-9-5-3-7-19(21)23/h2-15,24-26H,1H3
InChIKeyZCCMKJAXOIFTHH-UHFFFAOYSA-N
XLogP5.84
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole?
The IUPAC name of 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole (CID 11371604) is 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole is COc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole?
The InChIKey is ZCCMKJAXOIFTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-27-17-12-10-16(11-13-17)24(20-14-25-22-8-4-2-6-18(20)22)21-15-26-23-9-5-3-7-19(21)23/h2-15,24-26H,1H3.
What are the key properties of 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole?
3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole has a molecular weight of 352.44 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1H-indol-3-yl-(4-methoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 11371604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).