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

C28H23NO3 — CID 86620894

IUPAC1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2c(C(=O)O)n(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C28H23NO3/c1-18(2)32-23-15-12-20(13-16-23)26-24-9-5-6-10-25(24)29(27(26)28(30)31)22-14-11-19-7-3-4-8-21(19)17-22/h3-18H,1-2H3,(H,30,31)
InChIKeyCMDHVZWZWBJCDV-UHFFFAOYSA-N
MW421.50 g/mol
LogP6.94
Rot. Bonds5

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

1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid (PubChem CID 86620894) has the molecular formula C28H23NO3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
PubChem CID86620894
Molecular FormulaC28H23NO3
Molecular Weight421.50 g/mol
Exact Mass421.17
IUPAC Name1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid
SMILESCC(C)Oc1ccc(-c2c(C(=O)O)n(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C28H23NO3/c1-18(2)32-23-15-12-20(13-16-23)26-24-9-5-6-10-25(24)29(27(26)28(30)31)22-14-11-19-7-3-4-8-21(19)17-22/h3-18H,1-2H3,(H,30,31)
InChIKeyCMDHVZWZWBJCDV-UHFFFAOYSA-N
XLogP6.94
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylphenyl)-3-(4-propan-2-yloxyphenyl)-1-(6-propan-2-yloxy-3-pyridinyl)indole-2-carboxylic acid
CID 68880614
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-naphthalen-2-yl-5-(4-propan-2-yloxyphenyl)-1H-indole-2-carboxylic acid
CID 69355965
ethyl 5-(4-tert-butylphenyl)-1,3-bis(4-propan-2-yloxyphenyl)indole-2-carboxylate
CID 68880421
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118919659
3-(10-methylanthracen-9-yl)-9-naphthalen-2-ylcarbazole
CID 121339810
3-[3-[3-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 126764146
5-(4-tert-butylphenyl)-1-(6-propan-2-yloxynaphthalen-2-yl)indole-2-carboxylic acid
CID 68695597
2-(9,10-diphenylanthracen-2-yl)-5-naphthalen-2-ylphenanthridin-6-one
CID 134576288
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158681478

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
The IUPAC name of 1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid (CID 86620894) is 1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid.
What is the SMILES notation for 1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
The canonical SMILES for 1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid is CC(C)Oc1ccc(-c2c(C(=O)O)n(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of 1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
The InChIKey is CMDHVZWZWBJCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO3/c1-18(2)32-23-15-12-20(13-16-23)26-24-9-5-6-10-25(24)29(27(26)28(30)31)22-14-11-19-7-3-4-8-21(19)17-22/h3-18H,1-2H3,(H,30,31).
What are the key properties of 1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid?
1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid has a molecular weight of 421.50 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-(4-propan-2-yloxyphenyl)indole-2-carboxylic acid is sourced from PubChem (CID 86620894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).