3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole

C28H28N2O2 — CID 151221298

IUPAC3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole
SMILESCC1(COCc2ccc(COCC3(C)C=Nc4ccccc43)cc2)C=Nc2ccccc21
InChIInChI=1S/C28H28N2O2/c1-27(17-29-25-9-5-3-7-23(25)27)19-31-15-21-11-13-22(14-12-21)16-32-20-28(2)18-30-26-10-6-4-8-24(26)28/h3-14,17-18H,15-16,19-20H2,1-2H3
InChIKeyNMINIBLYAONBPT-UHFFFAOYSA-N
MW424.54 g/mol
LogP6.07
Rot. Bonds8

About 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole

3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole (PubChem CID 151221298) has the molecular formula C28H28N2O2 and a molecular weight of 424.54 g/mol. Its IUPAC name is 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole.

Molecular Properties

Compound Name3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole
PubChem CID151221298
Molecular FormulaC28H28N2O2
Molecular Weight424.54 g/mol
Exact Mass424.22
IUPAC Name3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole
SMILESCC1(COCc2ccc(COCC3(C)C=Nc4ccccc43)cc2)C=Nc2ccccc21
InChIInChI=1S/C28H28N2O2/c1-27(17-29-25-9-5-3-7-23(25)27)19-31-15-21-11-13-22(14-12-21)16-32-20-28(2)18-30-26-10-6-4-8-24(26)28/h3-14,17-18H,15-16,19-20H2,1-2H3
InChIKeyNMINIBLYAONBPT-UHFFFAOYSA-N
XLogP6.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole?
The IUPAC name of 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole (CID 151221298) is 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole.
What is the SMILES notation for 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole?
The canonical SMILES for 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole is CC1(COCc2ccc(COCC3(C)C=Nc4ccccc43)cc2)C=Nc2ccccc21.
What is the InChIKey of 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole?
The InChIKey is NMINIBLYAONBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O2/c1-27(17-29-25-9-5-3-7-23(25)27)19-31-15-21-11-13-22(14-12-21)16-32-20-28(2)18-30-26-10-6-4-8-24(26)28/h3-14,17-18H,15-16,19-20H2,1-2H3.
What are the key properties of 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole?
3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole has a molecular weight of 424.54 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[4-[(3-methylindol-3-yl)methoxymethyl]phenyl]methoxymethyl]indole is sourced from PubChem (CID 151221298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).