6-fluoranthen-3-yl-1,3-benzothiazole

C23H13NS — CID 121287541

IUPAC6-fluoranthen-3-yl-1,3-benzothiazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5ncsc5c4)ccc-2c13
InChIInChI=1S/C23H13NS/c1-2-5-17-16(4-1)19-7-3-6-18-15(9-10-20(17)23(18)19)14-8-11-21-22(12-14)25-13-24-21/h1-13H
InChIKeyFTIVKCOAOUKIEU-UHFFFAOYSA-N
MW335.43 g/mol
LogP6.76
Rot. Bonds1

About 6-fluoranthen-3-yl-1,3-benzothiazole

6-fluoranthen-3-yl-1,3-benzothiazole (PubChem CID 121287541) has the molecular formula C23H13NS and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-fluoranthen-3-yl-1,3-benzothiazole.

Molecular Properties

Compound Name6-fluoranthen-3-yl-1,3-benzothiazole
PubChem CID121287541
Molecular FormulaC23H13NS
Molecular Weight335.43 g/mol
Exact Mass335.08
IUPAC Name6-fluoranthen-3-yl-1,3-benzothiazole
SMILESc1ccc2c(c1)-c1cccc3c(-c4ccc5ncsc5c4)ccc-2c13
InChIInChI=1S/C23H13NS/c1-2-5-17-16(4-1)19-7-3-6-18-15(9-10-20(17)23(18)19)14-8-11-21-22(12-14)25-13-24-21/h1-13H
InChIKeyFTIVKCOAOUKIEU-UHFFFAOYSA-N
XLogP6.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.43
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[3-(4-phenylphenyl)phenyl]phenyl]fluoranthene
CID 58995572
6-(3-chlorophenyl)-1,3-benzothiazole
CID 166918051
6-benzo[k]fluoranthen-3-yl-3-(3-naphthalen-2-ylphenyl)quinoline
CID 121287572
5,13-di(fluoranthen-3-yl)pentacyclo[10.7.1.02,7.08,20.014,19]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaene
CID 59156188
3-(6-phenylnaphthalen-2-yl)fluoranthene
CID 123421019
3-(3-methylphenyl)fluoranthene
CID 123478210
3-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoranthene
CID 59524105
3-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]fluoranthene
CID 58544598
6-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 171756531
2,4-bis(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 59779624
6-[7-[9-(1,3-benzothiazol-6-yl)-24-phenyl-9,24-diazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-yl]-15-phenyl-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3(8),4,6,9,14(22),16,18,20,23-undecaen-12-yl]-1,3-benzothiazole
CID 130369530
1-[4-(4-fluoranthen-3-ylphenyl)phenyl]isoquinoline
CID 144968144

Frequently Asked Questions

What is the IUPAC name of 6-fluoranthen-3-yl-1,3-benzothiazole?
The IUPAC name of 6-fluoranthen-3-yl-1,3-benzothiazole (CID 121287541) is 6-fluoranthen-3-yl-1,3-benzothiazole.
What is the SMILES notation for 6-fluoranthen-3-yl-1,3-benzothiazole?
The canonical SMILES for 6-fluoranthen-3-yl-1,3-benzothiazole is c1ccc2c(c1)-c1cccc3c(-c4ccc5ncsc5c4)ccc-2c13.
What is the InChIKey of 6-fluoranthen-3-yl-1,3-benzothiazole?
The InChIKey is FTIVKCOAOUKIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NS/c1-2-5-17-16(4-1)19-7-3-6-18-15(9-10-20(17)23(18)19)14-8-11-21-22(12-14)25-13-24-21/h1-13H.
What are the key properties of 6-fluoranthen-3-yl-1,3-benzothiazole?
6-fluoranthen-3-yl-1,3-benzothiazole has a molecular weight of 335.43 g/mol, XLogP of 6.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoranthen-3-yl-1,3-benzothiazole is sourced from PubChem (CID 121287541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).