5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole

C28H25F3N2O2 — CID 139095734

IUPAC5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole
SMILESCOc1ccc2c(c1)c(C(c1ccccc1)(c1cn(C)c3ccc(OC)cc13)C(F)(F)F)cn2C
InChIInChI=1S/C28H25F3N2O2/c1-32-16-23(21-14-19(34-3)10-12-25(21)32)27(28(29,30)31,18-8-6-5-7-9-18)24-17-33(2)26-13-11-20(35-4)15-22(24)26/h5-17H,1-4H3
InChIKeyQJVCHGISZUKAKL-UHFFFAOYSA-N
MW478.51 g/mol
LogP6.58
Rot. Bonds5

About 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole

5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole (PubChem CID 139095734) has the molecular formula C28H25F3N2O2 and a molecular weight of 478.51 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole
PubChem CID139095734
Molecular FormulaC28H25F3N2O2
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole
SMILESCOc1ccc2c(c1)c(C(c1ccccc1)(c1cn(C)c3ccc(OC)cc13)C(F)(F)F)cn2C
InChIInChI=1S/C28H25F3N2O2/c1-32-16-23(21-14-19(34-3)10-12-25(21)32)27(28(29,30)31,18-8-6-5-7-9-18)24-17-33(2)26-13-11-20(35-4)15-22(24)26/h5-17H,1-4H3
InChIKeyQJVCHGISZUKAKL-UHFFFAOYSA-N
XLogP6.58
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 89576
5-MeO-DALT
CID 50878551
5-Methoxy-N-Methyltryptamine
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Benanserin Hydrochloride
CID 10670
Indole, 3-(3-amino-2-propyl)-5-methoxy-
CID 30241
5-Methoxy-3-(2-(1-pyrrolidinyl)ethyl)-1H-indole
CID 17053
N,N-Dimethyl-5-(phenylmethoxy)-1H-indole-3-methanamine
CID 73814

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole?
The IUPAC name of 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole (CID 139095734) is 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole.
What is the SMILES notation for 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole?
The canonical SMILES for 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole is COc1ccc2c(c1)c(C(c1ccccc1)(c1cn(C)c3ccc(OC)cc13)C(F)(F)F)cn2C.
What is the InChIKey of 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole?
The InChIKey is QJVCHGISZUKAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N2O2/c1-32-16-23(21-14-19(34-3)10-12-25(21)32)27(28(29,30)31,18-8-6-5-7-9-18)24-17-33(2)26-13-11-20(35-4)15-22(24)26/h5-17H,1-4H3.
What are the key properties of 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole?
5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole has a molecular weight of 478.51 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-[2,2,2-trifluoro-1-(5-methoxy-1-methylindol-3-yl)-1-phenylethyl]indole is sourced from PubChem (CID 139095734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).