3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one

C35H29NO3 — CID 102051245

IUPAC3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one
SMILESCOc1ccc(C2(O)C(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(C)cc32)cc1
InChIInChI=1S/C35H29NO3/c1-25-18-23-32-31(24-25)35(38,29-19-21-30(39-2)22-20-29)33(37)36(32)34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-24,38H,1-2H3
InChIKeySLLQZPITKHKGCB-UHFFFAOYSA-N
MW511.62 g/mol
LogP6.58
Rot. Bonds6

About 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one

3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one (PubChem CID 102051245) has the molecular formula C35H29NO3 and a molecular weight of 511.62 g/mol. Its IUPAC name is 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one
PubChem CID102051245
Molecular FormulaC35H29NO3
Molecular Weight511.62 g/mol
Exact Mass511.21
IUPAC Name3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one
SMILESCOc1ccc(C2(O)C(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(C)cc32)cc1
InChIInChI=1S/C35H29NO3/c1-25-18-23-32-31(24-25)35(38,29-19-21-30(39-2)22-20-29)33(37)36(32)34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-24,38H,1-2H3
InChIKeySLLQZPITKHKGCB-UHFFFAOYSA-N
XLogP6.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 56.58
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

(3R)-3-amino-3-(4-methoxyphenyl)-1-tritylindol-2-one
CID 164523167
3-amino-6-bromo-3-(4-methoxyphenyl)-1-tritylindol-2-one
CID 175254131
3-hydroxy-6-methoxy-1-methyl-3-phenylindol-2-one
CID 139255146
ethyl 2-[(3S)-3-[[(R)-tert-butylsulfinyl]amino]-5-methoxy-2-oxo-1-tritylindol-3-yl]acetate
CID 134848376
(3R)-3-hydroxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)indol-2-one
CID 95095280
9-(4-methoxyphenyl)xanthen-9-ol
CID 139147484
2-[3-hydroxy-3-(3-methylphenyl)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 53144104
(3S)-3-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methyl-1-tritylpyrrolidine-2,5-dione
CID 140944865
1-[(4-methoxyphenyl)-(4-methylphenyl)-phenylmethyl]piperidine
CID 58455165
2-(3-hydroxy-2-oxo-3-phenylindol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 53144266
(3R)-3-hydroxy-3-(3-methylbutanoyl)-1-tritylindol-2-one
CID 138964758
9-(4-methoxyphenyl)-2,7-dimethyl-9-(4-methylphenyl)fluorene
CID 59982767

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one?
The IUPAC name of 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one (CID 102051245) is 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one?
The canonical SMILES for 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one is COc1ccc(C2(O)C(=O)N(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccc(C)cc32)cc1.
What is the InChIKey of 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one?
The InChIKey is SLLQZPITKHKGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29NO3/c1-25-18-23-32-31(24-25)35(38,29-19-21-30(39-2)22-20-29)33(37)36(32)34(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h3-24,38H,1-2H3.
What are the key properties of 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one?
3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one has a molecular weight of 511.62 g/mol, XLogP of 6.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(4-methoxyphenyl)-5-methyl-1-tritylindol-2-one is sourced from PubChem (CID 102051245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).