7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine

C24H22N2S — CID 18368918

IUPAC7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine
SMILESCCC1(CC)c2cc(N)ccc2-c2ccc(-c3nc4ccccc4s3)cc21
InChIInChI=1S/C24H22N2S/c1-3-24(4-2)19-13-15(23-26-21-7-5-6-8-22(21)27-23)9-11-17(19)18-12-10-16(25)14-20(18)24/h5-14H,3-4,25H2,1-2H3
InChIKeyYKDGICBLEMBRNY-UHFFFAOYSA-N
MW370.52 g/mol
LogP6.63
Rot. Bonds3

About 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine

7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine (PubChem CID 18368918) has the molecular formula C24H22N2S and a molecular weight of 370.52 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine.

Molecular Properties

Compound Name7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine
PubChem CID18368918
Molecular FormulaC24H22N2S
Molecular Weight370.52 g/mol
Exact Mass370.15
IUPAC Name7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine
SMILESCCC1(CC)c2cc(N)ccc2-c2ccc(-c3nc4ccccc4s3)cc21
InChIInChI=1S/C24H22N2S/c1-3-24(4-2)19-13-15(23-26-21-7-5-6-8-22(21)27-23)9-11-17(19)18-12-10-16(25)14-20(18)24/h5-14H,3-4,25H2,1-2H3
InChIKeyYKDGICBLEMBRNY-UHFFFAOYSA-N
XLogP6.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.52
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[7-[4-[7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-yl]piperazin-1-yl]-9,9-diethylfluoren-2-yl]-1,3-benzothiazole
CID 135336264
2-[22-(1,3-benzothiazol-2-yl)-5,5,15,15,25,25-hexamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl]-1,3-benzothiazole
CID 59413419
7-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-9,9-diethyl-N-(2-methylphenyl)fluoren-2-amine
CID 140935185
9,9-diethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 121321489
4-(1,3-benzothiazol-2-yl)aniline;molecular hydrogen
CID 145349668
2-(9,9-diethyl-7-ethynylfluoren-2-yl)-6-ethynyl-1,3-benzothiazole;bis(gold(1+));bis(trimethylphosphanium)
CID 156628173
5-(1,3-benzothiazol-2-yl)-2-methylaniline
CID 735970
2-[4-[(E)-2-[7-[(E)-2-[4-(1,3-benzothiazol-2-yl)phenyl]ethenyl]-9,9-didecylfluoren-2-yl]ethenyl]phenyl]-1,3-benzothiazole
CID 101358200
3-[4-[7-(6-butyl-1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-yl]phenyl]pentan-3-amine
CID 143584898
2-amino-5-bromobenzenethiol;6-bromo-2-(7-bromo-9,9-diethylfluoren-2-yl)-1,3-benzothiazole;2-bromo-9,9-diethyl-7-methoxyfluorene
CID 160945597
2-[4-[4,6-bis[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-1,3,5-triazin-2-yl]-3-methylphenyl]-1,3-benzothiazole
CID 139660511
2-(4-ethylphenyl)-1,3-benzothiazole
CID 17307932

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine?
The IUPAC name of 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine (CID 18368918) is 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine.
What is the SMILES notation for 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine?
The canonical SMILES for 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine is CCC1(CC)c2cc(N)ccc2-c2ccc(-c3nc4ccccc4s3)cc21.
What is the InChIKey of 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine?
The InChIKey is YKDGICBLEMBRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2S/c1-3-24(4-2)19-13-15(23-26-21-7-5-6-8-22(21)27-23)9-11-17(19)18-12-10-16(25)14-20(18)24/h5-14H,3-4,25H2,1-2H3.
What are the key properties of 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine?
7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine has a molecular weight of 370.52 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzothiazol-2-yl)-9,9-diethylfluoren-2-amine is sourced from PubChem (CID 18368918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).