5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline

C26H22ClN — CID 155284942

IUPAC5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline
SMILESCc1ccc2c(c1)-c1cc(C)cc(-c3ccc4c(Cl)cccc4n3)c1C2(C)C
InChIInChI=1S/C26H22ClN/c1-15-8-10-21-18(12-15)19-13-16(2)14-20(25(19)26(21,3)4)24-11-9-17-22(27)6-5-7-23(17)28-24/h5-14H,1-4H3
InChIKeyUTKIBJKPGIUPHF-UHFFFAOYSA-N
MW383.92 g/mol
LogP7.48
Rot. Bonds1

About 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline

5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline (PubChem CID 155284942) has the molecular formula C26H22ClN and a molecular weight of 383.92 g/mol. Its IUPAC name is 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline.

Molecular Properties

Compound Name5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline
PubChem CID155284942
Molecular FormulaC26H22ClN
Molecular Weight383.92 g/mol
Exact Mass383.14
IUPAC Name5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline
SMILESCc1ccc2c(c1)-c1cc(C)cc(-c3ccc4c(Cl)cccc4n3)c1C2(C)C
InChIInChI=1S/C26H22ClN/c1-15-8-10-21-18(12-15)19-13-16(2)14-20(25(19)26(21,3)4)24-11-9-17-22(27)6-5-7-23(17)28-24/h5-14H,1-4H3
InChIKeyUTKIBJKPGIUPHF-UHFFFAOYSA-N
XLogP7.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-2-(3-cyclohexyl-5-methylphenyl)quinoline
CID 154960050
5-chloro-2-(7-methyl-1H-indol-3-yl)quinoline
CID 118449891
2-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)-4-methylaniline
CID 60786773
9,9-dimethyl-6-(4-methylphenyl)-1,3-diphenylfluorene
CID 156827145
5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline
CID 118449738
2,5-dichloroquinoline
CID 676552
1-chloro-4-(4-phenylphenyl)benzene;3,9,9-trimethylfluorene
CID 156827027
27-(3,5-dimethylphenyl)-5,9,9,17,17,21-hexamethyloctacyclo[13.13.2.02,10.03,8.012,29.016,24.018,23.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),18(23),19,21,25,27-tetradecaene
CID 123989759
2,6,9,9-tetramethylfluorene
CID 23527438
2-(2,5-dimethylphenyl)quinoline
CID 1202732
5-chloro-2-(3-methylbutan-2-yl)quinoline
CID 144941116
10,10-dimethyl-2-(3-methylphenyl)-4-phenylindeno[1,2-g]quinoline
CID 138592599

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline?
The IUPAC name of 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline (CID 155284942) is 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline.
What is the SMILES notation for 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline?
The canonical SMILES for 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline is Cc1ccc2c(c1)-c1cc(C)cc(-c3ccc4c(Cl)cccc4n3)c1C2(C)C.
What is the InChIKey of 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline?
The InChIKey is UTKIBJKPGIUPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN/c1-15-8-10-21-18(12-15)19-13-16(2)14-20(25(19)26(21,3)4)24-11-9-17-22(27)6-5-7-23(17)28-24/h5-14H,1-4H3.
What are the key properties of 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline?
5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline has a molecular weight of 383.92 g/mol, XLogP of 7.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,6,9,9-tetramethylfluoren-1-yl)quinoline is sourced from PubChem (CID 155284942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).