2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole

C23H13NSe2 — CID 176584088

IUPAC2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole
SMILESc1ccc2c(c1)cc(-c1nc3ccccc3[se]1)c1c3ccccc3[se]c21
InChIInChI=1S/C23H13NSe2/c1-2-8-15-14(7-1)13-17(23-24-18-10-4-6-12-20(18)26-23)21-16-9-3-5-11-19(16)25-22(15)21/h1-13H
InChIKeyZFZBSTHDJYMSKW-UHFFFAOYSA-N
MW461.28 g/mol
LogP5.48
Rot. Bonds1

About 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole

2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole (PubChem CID 176584088) has the molecular formula C23H13NSe2 and a molecular weight of 461.28 g/mol. Its IUPAC name is 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole.

Molecular Properties

Compound Name2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole
PubChem CID176584088
Molecular FormulaC23H13NSe2
Molecular Weight461.28 g/mol
Exact Mass462.94
IUPAC Name2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole
SMILESc1ccc2c(c1)cc(-c1nc3ccccc3[se]1)c1c3ccccc3[se]c21
InChIInChI=1S/C23H13NSe2/c1-2-8-15-14(7-1)13-17(23-24-18-10-4-6-12-20(18)26-23)21-16-9-3-5-11-19(16)25-22(15)21/h1-13H
InChIKeyZFZBSTHDJYMSKW-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.28
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-dibenzoselenophen-4-ylnaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 164943600
1,3-benzoselenazole-2-selenol
CID 154089548
12,24-diselenahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
CID 102402238
N-phenanthren-3-yl-N-phenylnaphtho[1,2-b][1]benzoselenol-3-amine
CID 171445365
11,12-bis(phenylselanyl)-9,14-diselenapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 177484303
9-naphthalen-1-ylphenanthrene
CID 20606742
9,20-di(phenanthren-9-yl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene
CID 59805302
7-[10-[6-(10-quinolin-7-ylanthracen-9-yl)dibenzoselenophen-1-yl]anthracen-9-yl]quinoline
CID 160581170
N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzoselenol-3-amine
CID 171445326
3-[3-methoxy-4-(2-methoxy-3-quinolin-3-ylnaphthalen-1-yl)naphthalen-2-yl]quinoline
CID 102419790
6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-2-(10-phenylanthracen-9-yl)dibenzoselenophene
CID 159680048
7-(4-chrysen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[g][1,3]benzoselenazole
CID 168739651

Frequently Asked Questions

What is the IUPAC name of 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole?
The IUPAC name of 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole (CID 176584088) is 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole.
What is the SMILES notation for 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole?
The canonical SMILES for 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole is c1ccc2c(c1)cc(-c1nc3ccccc3[se]1)c1c3ccccc3[se]c21.
What is the InChIKey of 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole?
The InChIKey is ZFZBSTHDJYMSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NSe2/c1-2-8-15-14(7-1)13-17(23-24-18-10-4-6-12-20(18)26-23)21-16-9-3-5-11-19(16)25-22(15)21/h1-13H.
What are the key properties of 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole?
2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole has a molecular weight of 461.28 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphtho[1,2-b][1]benzoselenol-6-yl-1,3-benzoselenazole is sourced from PubChem (CID 176584088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).