5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole

C28H28N2O3 — CID 135028995

IUPAC5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole
SMILESCOc1ccc(C(c2cn(C)c3ccc(OC)cc23)c2cn(C)c3ccc(OC)cc23)cc1
InChIInChI=1S/C28H28N2O3/c1-29-16-24(22-14-20(32-4)10-12-26(22)29)28(18-6-8-19(31-3)9-7-18)25-17-30(2)27-13-11-21(33-5)15-23(25)27/h6-17,28H,1-5H3
InChIKeySKIFPTSHFDXBFR-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.88
Rot. Bonds6

About 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole

5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole (PubChem CID 135028995) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole.

Molecular Properties

Compound Name5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole
PubChem CID135028995
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole
SMILESCOc1ccc(C(c2cn(C)c3ccc(OC)cc23)c2cn(C)c3ccc(OC)cc23)cc1
InChIInChI=1S/C28H28N2O3/c1-29-16-24(22-14-20(32-4)10-12-26(22)29)28(18-6-8-19(31-3)9-7-18)25-17-30(2)27-13-11-21(33-5)15-23(25)27/h6-17,28H,1-5H3
InChIKeySKIFPTSHFDXBFR-UHFFFAOYSA-N
XLogP5.88
TPSA37.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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5-Methoxy-N,N-Diisopropyltryptamine
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5-Methoxy 3-(1,2,3,6-tetrahydro-4-pyridinyl)1H indole
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5-Methoxy-N,N-dimethyl-1H-indole-3-methanamine
CID 27965
5-(Benzyloxy)tryptamine
CID 89576
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
CID 16184
5-Methoxy-N,N-dipropyl-1H-indole-3-ethanamine
CID 14011047
Zindoxifene
CID 65645

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole?
The IUPAC name of 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole (CID 135028995) is 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole.
What is the SMILES notation for 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole?
The canonical SMILES for 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole is COc1ccc(C(c2cn(C)c3ccc(OC)cc23)c2cn(C)c3ccc(OC)cc23)cc1.
What is the InChIKey of 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole?
The InChIKey is SKIFPTSHFDXBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-29-16-24(22-14-20(32-4)10-12-26(22)29)28(18-6-8-19(31-3)9-7-18)25-17-30(2)27-13-11-21(33-5)15-23(25)27/h6-17,28H,1-5H3.
What are the key properties of 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole?
5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole has a molecular weight of 440.54 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[(5-methoxy-1-methylindol-3-yl)-(4-methoxyphenyl)methyl]-1-methylindole is sourced from PubChem (CID 135028995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).