10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole

C24H14ClNS — CID 167133389

IUPAC10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole
SMILESClc1cc(-n2c3ccccc3c3sc4ccccc4c32)cc2ccccc12
InChIInChI=1S/C24H14ClNS/c25-20-14-16(13-15-7-1-2-8-17(15)20)26-21-11-5-3-9-18(21)24-23(26)19-10-4-6-12-22(19)27-24/h1-14H
InChIKeyUVSJIELVAXMIHF-UHFFFAOYSA-N
MW383.90 g/mol
LogP7.80
Rot. Bonds1

About 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole

10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole (PubChem CID 167133389) has the molecular formula C24H14ClNS and a molecular weight of 383.90 g/mol. Its IUPAC name is 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole
PubChem CID167133389
Molecular FormulaC24H14ClNS
Molecular Weight383.90 g/mol
Exact Mass383.05
IUPAC Name10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole
SMILESClc1cc(-n2c3ccccc3c3sc4ccccc4c32)cc2ccccc12
InChIInChI=1S/C24H14ClNS/c25-20-14-16(13-15-7-1-2-8-17(15)20)26-21-11-5-3-9-18(21)24-23(26)19-10-4-6-12-22(19)27-24/h1-14H
InChIKeyUVSJIELVAXMIHF-UHFFFAOYSA-N
XLogP7.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.90
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

12-(6-carbazol-9-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-a]carbazole
CID 167193290
3-naphthalen-2-yl-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
CID 118602453
12-phenanthren-9-yl-[1]benzothiolo[2,3-a]carbazole
CID 118502908
10-pyrimidin-2-yl-[1]benzothiolo[3,2-b]indole
CID 121298662
10-(1,3-benzothiazol-2-yl)-[1]benzothiolo[3,2-b]indole
CID 121298667
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540
10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole
CID 118150020
12-[3-phenyl-5-(3-phenylphenyl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 118502961
24-[6-(3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaen-24-yl)naphthalen-2-yl]-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 129038150
2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 122365365
7-(2-naphtho[2,1-b][1]benzothiol-9-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828047

Frequently Asked Questions

What is the IUPAC name of 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole (CID 167133389) is 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole is Clc1cc(-n2c3ccccc3c3sc4ccccc4c32)cc2ccccc12.
What is the InChIKey of 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole?
The InChIKey is UVSJIELVAXMIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14ClNS/c25-20-14-16(13-15-7-1-2-8-17(15)20)26-21-11-5-3-9-18(21)24-23(26)19-10-4-6-12-22(19)27-24/h1-14H.
What are the key properties of 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole?
10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole has a molecular weight of 383.90 g/mol, XLogP of 7.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-chloronaphthalen-2-yl)-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 167133389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).