3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid

C28H23NO3 — CID 69355965

IUPAC3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc3[nH]c(C(=O)O)c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C28H23NO3/c1-17(2)32-23-12-9-19(10-13-23)21-11-14-25-24(16-21)26(27(29-25)28(30)31)22-8-7-18-5-3-4-6-20(18)15-22/h3-17,29H,1-2H3,(H,30,31)
InChIKeySDAQWHVIZBFSEB-UHFFFAOYSA-N
MW421.50 g/mol
LogP7.14
Rot. Bonds5

About 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid

3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid (PubChem CID 69355965) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid
PubChem CID69355965
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2ccc3[nH]c(C(=O)O)c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C28H23NO3/c1-17(2)32-23-12-9-19(10-13-23)21-11-14-25-24(16-21)26(27(29-25)28(30)31)22-8-7-18-5-3-4-6-20(18)15-22/h3-17,29H,1-2H3,(H,30,31)
InChIKeySDAQWHVIZBFSEB-UHFFFAOYSA-N
XLogP7.14
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dichlorophenoxy)-3-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid
CID 69379961
methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958
3,6-dinaphthalen-2-yl-9H-carbazole
CID 86019382
1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
CID 86620894
acetyl chloride;ethyl 5-acetyloxy-3-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylate
CID 87803026
ethyl 3-(4-propan-2-yloxyphenyl)-5-[4-(trifluoromethyl)phenoxy]-1H-indole-2-carboxylate
CID 69382649
2-fluoro-6-(4-propan-2-yloxyphenyl)naphthalene
CID 71063289
bis(bis[4-(4-naphthalen-2-ylphenyl)phenyl] carbonate);carbonic acid
CID 174756889
2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenoxy]-1,2-diphenylethanone
CID 58239720
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
3-(3-fluorophenyl)-1H-indole-2-carboxylic acid
CID 82120262
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid?
The IUPAC name of 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid (CID 69355965) is 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid is CC(C)Oc1ccc(-c2ccc3[nH]c(C(=O)O)c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid?
The InChIKey is SDAQWHVIZBFSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO3/c1-17(2)32-23-12-9-19(10-13-23)21-11-14-25-24(16-21)26(27(29-25)28(30)31)22-8-7-18-5-3-4-6-20(18)15-22/h3-17,29H,1-2H3,(H,30,31).
What are the key properties of 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid?
3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid has a molecular weight of 421.50 g/mol, XLogP of 7.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid is sourced from PubChem (CID 69355965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).