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

C24H20N2O — CID 134133615

IUPAC1-[indol-1-yl-(3-methoxyphenyl)methyl]indole
SMILESCOc1cccc(C(n2ccc3ccccc32)n2ccc3ccccc32)c1
InChIInChI=1S/C24H20N2O/c1-27-21-10-6-9-20(17-21)24(25-15-13-18-7-2-4-11-22(18)25)26-16-14-19-8-3-5-12-23(19)26/h2-17,24H,1H3
InChIKeyASQLFWSCXLJJEJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.70
Rot. Bonds4

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

1-[indol-1-yl-(3-methoxyphenyl)methyl]indole (PubChem CID 134133615) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[indol-1-yl-(3-methoxyphenyl)methyl]indole.

Molecular Properties

Compound Name1-[indol-1-yl-(3-methoxyphenyl)methyl]indole
PubChem CID134133615
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name1-[indol-1-yl-(3-methoxyphenyl)methyl]indole
SMILESCOc1cccc(C(n2ccc3ccccc32)n2ccc3ccccc32)c1
InChIInChI=1S/C24H20N2O/c1-27-21-10-6-9-20(17-21)24(25-15-13-18-7-2-4-11-22(18)25)26-16-14-19-8-3-5-12-23(19)26/h2-17,24H,1H3
InChIKeyASQLFWSCXLJJEJ-UHFFFAOYSA-N
XLogP5.70
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[indol-1-yl-(3-methoxyphenyl)methyl]indole?
The IUPAC name of 1-[indol-1-yl-(3-methoxyphenyl)methyl]indole (CID 134133615) is 1-[indol-1-yl-(3-methoxyphenyl)methyl]indole.
What is the SMILES notation for 1-[indol-1-yl-(3-methoxyphenyl)methyl]indole?
The canonical SMILES for 1-[indol-1-yl-(3-methoxyphenyl)methyl]indole is COc1cccc(C(n2ccc3ccccc32)n2ccc3ccccc32)c1.
What is the InChIKey of 1-[indol-1-yl-(3-methoxyphenyl)methyl]indole?
The InChIKey is ASQLFWSCXLJJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-27-21-10-6-9-20(17-21)24(25-15-13-18-7-2-4-11-22(18)25)26-16-14-19-8-3-5-12-23(19)26/h2-17,24H,1H3.
What are the key properties of 1-[indol-1-yl-(3-methoxyphenyl)methyl]indole?
1-[indol-1-yl-(3-methoxyphenyl)methyl]indole has a molecular weight of 352.44 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[indol-1-yl-(3-methoxyphenyl)methyl]indole is sourced from PubChem (CID 134133615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).