8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole

C22H13ClS — CID 166918289

IUPAC8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole
SMILESClc1cccc(-c2ccc3sc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C22H13ClS/c23-17-6-3-5-15(12-17)16-9-11-21-20(13-16)19-10-8-14-4-1-2-7-18(14)22(19)24-21/h1-13H
InChIKeyORVCLLJVGMJURD-UHFFFAOYSA-N
MW344.87 g/mol
LogP7.53
Rot. Bonds1

About 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole

8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole (PubChem CID 166918289) has the molecular formula C22H13ClS and a molecular weight of 344.87 g/mol. Its IUPAC name is 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole.

Molecular Properties

Compound Name8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole
PubChem CID166918289
Molecular FormulaC22H13ClS
Molecular Weight344.87 g/mol
Exact Mass344.04
IUPAC Name8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole
SMILESClc1cccc(-c2ccc3sc4c5ccccc5ccc4c3c2)c1
InChIInChI=1S/C22H13ClS/c23-17-6-3-5-15(12-17)16-9-11-21-20(13-16)19-10-8-14-4-1-2-7-18(14)22(19)24-21/h1-13H
InChIKeyORVCLLJVGMJURD-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-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole
CID 118503423
8-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122427185
2-chloro-4-naphtho[1,2-b][1]benzothiol-8-yl-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845132
8-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 122415670
2-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;3-(10-phenylanthracen-9-yl)naphtho[2,3-b][1]benzothiole;8-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;9-(10-phenylanthracen-9-yl)naphtho[1,2-b][1]benzothiole;2-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzothiole;8-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[1,2-b][1]benzothiole
CID 159959576
18-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 130190884
8-[4-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphtho[1,2-b][1]benzothiole
CID 122425759
5-[3-(10-phenylanthracen-9-yl)phenyl]-9,14-dithiahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190837
8-(4-benzo[a]anthracen-3-yl-2,3,5,6-tetradeuteriophenyl)naphtho[1,2-b][1]benzothiole
CID 177071628
8-(4-benzo[a]anthracen-10-yl-2,3,5,6-tetradeuteriophenyl)naphtho[1,2-b][1]benzothiole
CID 177072017
18-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-12,22-dithiahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16(21),17,19-undecaene
CID 130190970
8-[10-[4-(2-fluoranthen-3-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzothiole
CID 174273568

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole?
The IUPAC name of 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole (CID 166918289) is 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole.
What is the SMILES notation for 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole?
The canonical SMILES for 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole is Clc1cccc(-c2ccc3sc4c5ccccc5ccc4c3c2)c1.
What is the InChIKey of 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole?
The InChIKey is ORVCLLJVGMJURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClS/c23-17-6-3-5-15(12-17)16-9-11-21-20(13-16)19-10-8-14-4-1-2-7-18(14)22(19)24-21/h1-13H.
What are the key properties of 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole?
8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole 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 8-(3-chlorophenyl)naphtho[1,2-b][1]benzothiole is sourced from PubChem (CID 166918289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).