(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one

C34H28N2O2 — CID 164523167

IUPAC(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one
SMILESCOc1ccc([C@]2(N)C(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C34H28N2O2/c1-38-29-23-21-25(22-24-29)33(35)30-19-11-12-20-31(30)36(32(33)37)34(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-24H,35H2,1H3/t33-/m1/s1
InChIKeyHCGYQDBJROZZLS-MGBGTMOVSA-N
MW496.61 g/mol
LogP6.24
Rot. Bonds6

About (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one

(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one (PubChem CID 164523167) has the molecular formula C34H28N2O2 and a molecular weight of 496.61 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one
PubChem CID164523167
Molecular FormulaC34H28N2O2
Molecular Weight496.61 g/mol
Exact Mass496.22
IUPAC Name(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one
SMILESCOc1ccc([C@]2(N)C(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C34H28N2O2/c1-38-29-23-21-25(22-24-29)33(35)30-19-11-12-20-31(30)36(32(33)37)34(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-24H,35H2,1H3/t33-/m1/s1
InChIKeyHCGYQDBJROZZLS-MGBGTMOVSA-N
XLogP6.24
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-bromo-3-(4-methoxyphenyl)-1-tritylindol-2-one
CID 175254131
3-amino-3-thiophen-3-yl-1-tritylindol-2-one
CID 175254497
3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one
CID 102051245
(3R)-3-hydroxy-3-(3-methylbutanoyl)-1-tritylindol-2-one
CID 138964758
ethyl 2-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]-5-methoxy-2-oxo-1-tritylindol-3-yl]acetate
CID 134848376
(3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione
CID 140944865
2-methoxy-10-tritylphenothiazine
CID 139765572
1'-tritylspiro[3H-pyran-2,3'-indole]-2',4-dione
CID 56963952
9-methoxy-9-(4-methoxyphenyl)-10-phenylacridine
CID 11406722
(4-methoxyphenyl)-diphenylmethanamine
CID 21477757
(3S)-3-(3,5-dimethoxyphenyl)-3-fluoro-1-methylindol-2-one
CID 132608894
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one?
The IUPAC name of (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one (CID 164523167) is (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one.
What is the SMILES notation for (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one?
The canonical SMILES for (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one is COc1ccc([C@]2(N)C(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one?
The InChIKey is HCGYQDBJROZZLS-MGBGTMOVSA-N. The full InChI is InChI=1S/C34H28N2O2/c1-38-29-23-21-25(22-24-29)33(35)30-19-11-12-20-31(30)36(32(33)37)34(26-13-5-2-6-14-26,27-15-7-3-8-16-27)28-17-9-4-10-18-28/h2-24H,35H2,1H3/t33-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one?
(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one has a molecular weight of 496.61 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one is sourced from PubChem (CID 164523167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).