7-chloro-1-naphthalen-1-yldibenzothiophene

C22H13ClS — CID 166055459

IUPAC7-chloro-1-naphthalen-1-yldibenzothiophene
SMILESClc1ccc2c(c1)sc1cccc(-c3cccc4ccccc34)c12
InChIInChI=1S/C22H13ClS/c23-15-11-12-19-21(13-15)24-20-10-4-9-18(22(19)20)17-8-3-6-14-5-1-2-7-16(14)17/h1-13H
InChIKeyACPCUHXNVZIZBV-UHFFFAOYSA-N
MW344.87 g/mol
LogP7.53
Rot. Bonds1

About 7-chloro-1-naphthalen-1-yldibenzothiophene

7-chloro-1-naphthalen-1-yldibenzothiophene (PubChem CID 166055459) has the molecular formula C22H13ClS and a molecular weight of 344.87 g/mol. Its IUPAC name is 7-chloro-1-naphthalen-1-yldibenzothiophene.

Molecular Properties

Compound Name7-chloro-1-naphthalen-1-yldibenzothiophene
PubChem CID166055459
Molecular FormulaC22H13ClS
Molecular Weight344.87 g/mol
Exact Mass344.04
IUPAC Name7-chloro-1-naphthalen-1-yldibenzothiophene
SMILESClc1ccc2c(c1)sc1cccc(-c3cccc4ccccc34)c12
InChIInChI=1S/C22H13ClS/c23-15-11-12-19-21(13-15)24-20-10-4-9-18(22(19)20)17-8-3-6-14-5-1-2-7-16(14)17/h1-13H
InChIKeyACPCUHXNVZIZBV-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.87
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-chloro-1-phenanthren-9-yldibenzothiophene
CID 172508813
7-chloro-1-naphtho[1,2-b][1]benzothiol-7-yldibenzofuran
CID 174362886
2-(4-chloro-2-dibenzothiophen-1-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 155430745
6-(10-naphthalen-1-ylanthracen-9-yl)-9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122427237
1-(2-methyl-10-naphthalen-1-ylanthracen-9-yl)dibenzothiophene
CID 59195925
1-(4-chloro-2-phenylphenyl)naphthalene
CID 163255490
2-(9-chloronaphtho[2,1-b][1]benzothiol-5-yl)-4,6-diphenyl-1,3,5-triazine
CID 164707659
N-[4-(6-chloronaphthalen-1-yl)phenyl]-N-phenyldibenzothiophen-2-amine
CID 166917856
7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine
CID 155773213
1-(3-chloro-5-phenylphenyl)dibenzothiophene
CID 175911263
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878
9-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-2-amine
CID 166055432

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-naphthalen-1-yldibenzothiophene?
The IUPAC name of 7-chloro-1-naphthalen-1-yldibenzothiophene (CID 166055459) is 7-chloro-1-naphthalen-1-yldibenzothiophene.
What is the SMILES notation for 7-chloro-1-naphthalen-1-yldibenzothiophene?
The canonical SMILES for 7-chloro-1-naphthalen-1-yldibenzothiophene is Clc1ccc2c(c1)sc1cccc(-c3cccc4ccccc34)c12.
What is the InChIKey of 7-chloro-1-naphthalen-1-yldibenzothiophene?
The InChIKey is ACPCUHXNVZIZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClS/c23-15-11-12-19-21(13-15)24-20-10-4-9-18(22(19)20)17-8-3-6-14-5-1-2-7-16(14)17/h1-13H.
What are the key properties of 7-chloro-1-naphthalen-1-yldibenzothiophene?
7-chloro-1-naphthalen-1-yldibenzothiophene has a molecular weight of 344.87 g/mol, XLogP of 7.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-naphthalen-1-yldibenzothiophene is sourced from PubChem (CID 166055459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).