4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde

C20H12INO2 — CID 155678215

IUPAC4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde
SMILESO=Cc1cn(C(=O)c2ccc3ccccc3c2)c2cccc(I)c12
InChIInChI=1S/C20H12INO2/c21-17-6-3-7-18-19(17)16(12-23)11-22(18)20(24)15-9-8-13-4-1-2-5-14(13)10-15/h1-12H
InChIKeyAIJNDXGNIROMMJ-UHFFFAOYSA-N
MW425.23 g/mol
LogP4.90
Rot. Bonds2

About 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde

4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde (PubChem CID 155678215) has the molecular formula C20H12INO2 and a molecular weight of 425.23 g/mol. Its IUPAC name is 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde.

Molecular Properties

Compound Name4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde
PubChem CID155678215
Molecular FormulaC20H12INO2
Molecular Weight425.23 g/mol
Exact Mass424.99
IUPAC Name4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde
SMILESO=Cc1cn(C(=O)c2ccc3ccccc3c2)c2cccc(I)c12
InChIInChI=1S/C20H12INO2/c21-17-6-3-7-18-19(17)16(12-23)11-22(18)20(24)15-9-8-13-4-1-2-5-14(13)10-15/h1-12H
InChIKeyAIJNDXGNIROMMJ-UHFFFAOYSA-N
XLogP4.90
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-1-(4-methylbenzoyl)indole-3-carbaldehyde
CID 155678224
1-benzoyl-4-bromoindole-3-carbaldehyde
CID 155678231
1-(3,4-dichlorobenzoyl)indole-3-carbaldehyde
CID 91690489
5-methoxy-1-(3-methylbenzoyl)indole-3-carbaldehyde
CID 71670304
dinaphthalen-2-ylmethanone
CID 10945915
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
methyl 1-benzoyl-3-formylindole-5-carboxylate
CID 141446667
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
naphthalene-2-carboxylic acid
CID 175967775
1-[2-methyl-4-(naphthalene-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123485876
(3Z)-3-[[5-methoxy-1-(naphthalene-2-carbonyl)indol-3-yl]methylidene]-6-sulfanylidenepiperidine-2,4-dione
CID 146839048
(Z)-3-amino-3-naphthalen-2-yl-1-phenylprop-2-en-1-one
CID 170551701

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde?
The IUPAC name of 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde (CID 155678215) is 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde.
What is the SMILES notation for 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde?
The canonical SMILES for 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde is O=Cc1cn(C(=O)c2ccc3ccccc3c2)c2cccc(I)c12.
What is the InChIKey of 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde?
The InChIKey is AIJNDXGNIROMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12INO2/c21-17-6-3-7-18-19(17)16(12-23)11-22(18)20(24)15-9-8-13-4-1-2-5-14(13)10-15/h1-12H.
What are the key properties of 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde?
4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde has a molecular weight of 425.23 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-(naphthalene-2-carbonyl)indole-3-carbaldehyde is sourced from PubChem (CID 155678215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).