3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

C26H24N2O — CID 2849244

IUPAC3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCOc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C26H24N2O/c1-16-24(20-8-4-6-10-22(20)27-16)26(18-12-14-19(29-3)15-13-18)25-17(2)28-23-11-7-5-9-21(23)25/h4-15,26-28H,1-3H3
InChIKeyBCOAQHQEKHGLOY-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.45
Rot. Bonds4

About 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (PubChem CID 2849244) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
PubChem CID2849244
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCOc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C26H24N2O/c1-16-24(20-8-4-6-10-22(20)27-16)26(18-12-14-19(29-3)15-13-18)25-17(2)28-23-11-7-5-9-21(23)25/h4-15,26-28H,1-3H3
InChIKeyBCOAQHQEKHGLOY-UHFFFAOYSA-N
XLogP6.45
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (CID 2849244) is 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is COc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The InChIKey is BCOAQHQEKHGLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-16-24(20-8-4-6-10-22(20)27-16)26(18-12-14-19(29-3)15-13-18)25-17(2)28-23-11-7-5-9-21(23)25/h4-15,26-28H,1-3H3.
What are the key properties of 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole has a molecular weight of 380.49 g/mol, XLogP of 6.45, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 2849244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).