3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole

C21H17NO2 — CID 170874148

IUPAC3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole
SMILESc1ccc2cc(-c3[nH]c4ccccc4c3C3OCCO3)ccc2c1
InChIInChI=1S/C21H17NO2/c1-2-6-15-13-16(10-9-14(15)5-1)20-19(21-23-11-12-24-21)17-7-3-4-8-18(17)22-20/h1-10,13,21-22H,11-12H2
InChIKeyZFIFQAFPKCHTST-UHFFFAOYSA-N
MW315.37 g/mol
LogP5.03
Rot. Bonds2

About 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole

3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole (PubChem CID 170874148) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole.

Molecular Properties

Compound Name3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole
PubChem CID170874148
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole
SMILESc1ccc2cc(-c3[nH]c4ccccc4c3C3OCCO3)ccc2c1
InChIInChI=1S/C21H17NO2/c1-2-6-15-13-16(10-9-14(15)5-1)20-19(21-23-11-12-24-21)17-7-3-4-8-18(17)22-20/h1-10,13,21-22H,11-12H2
InChIKeyZFIFQAFPKCHTST-UHFFFAOYSA-N
XLogP5.03
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.37
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,6-dinaphthalen-2-yl-9H-carbazole
CID 86019382
3-bromo-4-(2-naphthalen-2-yl-1H-indol-3-yl)pyrrole-2,5-dione
CID 102042854
methyl 2-[(1R)-1-(2-naphthalen-2-yl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]acetate
CID 41002685
2-(2-naphthalen-2-yl-1H-indol-3-yl)acetic acid;piperidine
CID 159486441
2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-phenylacetonitrile
CID 118017440
4-(2-naphthalen-2-yl-1H-indol-3-yl)butan-2-one
CID 11278424
10-naphthalen-2-yl-7H-benzo[c]carbazole
CID 144640313
(2Z)-2-[(2-naphthalen-2-yl-1H-indol-3-yl)methylidene]-1-benzothiophen-3-one
CID 69007488
1-naphthalen-2-yl-9H-pyrido[3,4-b]indole
CID 91398719
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-naphthalen-2-yl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-1H-indol-3-one
CID 10815248

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole?
The IUPAC name of 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole (CID 170874148) is 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole.
What is the SMILES notation for 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole?
The canonical SMILES for 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole is c1ccc2cc(-c3[nH]c4ccccc4c3C3OCCO3)ccc2c1.
What is the InChIKey of 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole?
The InChIKey is ZFIFQAFPKCHTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-2-6-15-13-16(10-9-14(15)5-1)20-19(21-23-11-12-24-21)17-7-3-4-8-18(17)22-20/h1-10,13,21-22H,11-12H2.
What are the key properties of 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole?
3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole has a molecular weight of 315.37 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxolan-2-yl)-2-naphthalen-2-yl-1H-indole is sourced from PubChem (CID 170874148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).