2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole

C20H11F2NS — CID 122365365

IUPAC2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESFc1cc2c3sc4ccccc4c3n(-c3ccccc3)c2cc1F
InChIInChI=1S/C20H11F2NS/c21-15-10-14-17(11-16(15)22)23(12-6-2-1-3-7-12)19-13-8-4-5-9-18(13)24-20(14)19/h1-11H
InChIKeyXDRLALMLRQFBJM-UHFFFAOYSA-N
MW335.38 g/mol
LogP6.28
Rot. Bonds1

About 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole

2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole (PubChem CID 122365365) has the molecular formula C20H11F2NS and a molecular weight of 335.38 g/mol. Its IUPAC name is 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole
PubChem CID122365365
Molecular FormulaC20H11F2NS
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole
SMILESFc1cc2c3sc4ccccc4c3n(-c3ccccc3)c2cc1F
InChIInChI=1S/C20H11F2NS/c21-15-10-14-17(11-16(15)22)23(12-6-2-1-3-7-12)19-13-8-4-5-9-18(13)24-20(14)19/h1-11H
InChIKeyXDRLALMLRQFBJM-UHFFFAOYSA-N
XLogP6.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

10-phenyl-3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-[1]benzothiolo[3,2-b]indole
CID 166871505
3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 90296100
CID 152782904
CID 152782904
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]aniline
CID 144585475
N,N-diphenyl-8-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)dibenzothiophen-2-amine
CID 144585459
10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole
CID 118150020
12-(3-carbazol-9-ylphenyl)-[1]benzothiolo[2,3-a]carbazole
CID 118503017
4-phenyl-N-[4-(10-phenyl-[1]benzothiolo[3,2-b]indol-3-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 144585485
7-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828396
23-[4-(21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaen-22-yl)phenyl]-10-phenyl-15-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.016,21]tricosa-1(13),2,4,6,8,11,14(22),16,18,20-decaene
CID 121474796
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole (CID 122365365) is 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole is Fc1cc2c3sc4ccccc4c3n(-c3ccccc3)c2cc1F.
What is the InChIKey of 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole?
The InChIKey is XDRLALMLRQFBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F2NS/c21-15-10-14-17(11-16(15)22)23(12-6-2-1-3-7-12)19-13-8-4-5-9-18(13)24-20(14)19/h1-11H.
What are the key properties of 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole?
2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole has a molecular weight of 335.38 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-10-phenyl-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 122365365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).