9-chloro-7,12-diethylbenzo[k]fluoranthene

C24H19Cl — CID 10860822

IUPAC9-chloro-7,12-diethylbenzo[k]fluoranthene
SMILESCCc1c2c(c(CC)c3cc(Cl)ccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C24H19Cl/c1-3-16-18-12-11-15(25)13-21(18)17(4-2)24-20-10-6-8-14-7-5-9-19(22(14)20)23(16)24/h5-13H,3-4H2,1-2H3
InChIKeyZEUQGPOZTWZQMI-UHFFFAOYSA-N
MW342.87 g/mol
LogP7.42
Rot. Bonds2

About 9-chloro-7,12-diethylbenzo[k]fluoranthene

9-chloro-7,12-diethylbenzo[k]fluoranthene (PubChem CID 10860822) has the molecular formula C24H19Cl and a molecular weight of 342.87 g/mol. Its IUPAC name is 9-chloro-7,12-diethylbenzo[k]fluoranthene.

Molecular Properties

Compound Name9-chloro-7,12-diethylbenzo[k]fluoranthene
PubChem CID10860822
Molecular FormulaC24H19Cl
Molecular Weight342.87 g/mol
Exact Mass342.12
IUPAC Name9-chloro-7,12-diethylbenzo[k]fluoranthene
SMILESCCc1c2c(c(CC)c3cc(Cl)ccc13)-c1cccc3cccc-2c13
InChIInChI=1S/C24H19Cl/c1-3-16-18-12-11-15(25)13-21(18)17(4-2)24-20-10-6-8-14-7-5-9-19(22(14)20)23(16)24/h5-13H,3-4H2,1-2H3
InChIKeyZEUQGPOZTWZQMI-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.87
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 13193577
3,5-dichlorophenanthrene
CID 123462675
benzo[k]fluoranthene;9-chloro-7,12-diphenylbenzo[k]fluoranthene
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8-chlorofluoranthene
CID 15737453
9-butyl-14-chloro-9-azahexacyclo[15.7.1.02,10.03,8.011,16.021,25]pentacosa-1(24),2(10),3,5,7,11(16),12,14,17,19,21(25),22-dodecaene
CID 166440630
7-ethyl-4-[10-(2-phenylphenyl)anthracen-9-yl]benzo[a]anthracene
CID 168838173
1-[10-(7-ethylbenzo[a]anthracen-4-yl)anthracen-9-yl]dibenzofuran
CID 168838233
8-(7,12-diethyl-5-methylbenzo[k]fluoranthen-4-yl)-3,15-dimethyl-22-(2-methylfluoranthen-3-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2,4(14),5(26),6,8,10,12,15,17,19,21,23-tridecaene
CID 163470592
8-methyl-9-propylhexacyclo[14.7.1.02,15.04,13.05,10.020,24]tetracosa-1(23),2(15),3,5(10),6,8,11,13,16,18,20(24),21-dodecaene
CID 144568595
7-chloro-1-naphthalen-1-yldibenzothiophene
CID 166055459
6-chloro-4-ethyl-3-phenyl-1-(2,2,2-trifluoroethoxy)isoquinoline
CID 138975138
8-(7,10-diethylfluoranthen-3-yl)-22-(7,12-diethyl-8-methylbenzo[k]fluoranthen-4-yl)heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene
CID 163677676

Frequently Asked Questions

What is the IUPAC name of 9-chloro-7,12-diethylbenzo[k]fluoranthene?
The IUPAC name of 9-chloro-7,12-diethylbenzo[k]fluoranthene (CID 10860822) is 9-chloro-7,12-diethylbenzo[k]fluoranthene.
What is the SMILES notation for 9-chloro-7,12-diethylbenzo[k]fluoranthene?
The canonical SMILES for 9-chloro-7,12-diethylbenzo[k]fluoranthene is CCc1c2c(c(CC)c3cc(Cl)ccc13)-c1cccc3cccc-2c13.
What is the InChIKey of 9-chloro-7,12-diethylbenzo[k]fluoranthene?
The InChIKey is ZEUQGPOZTWZQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl/c1-3-16-18-12-11-15(25)13-21(18)17(4-2)24-20-10-6-8-14-7-5-9-19(22(14)20)23(16)24/h5-13H,3-4H2,1-2H3.
What are the key properties of 9-chloro-7,12-diethylbenzo[k]fluoranthene?
9-chloro-7,12-diethylbenzo[k]fluoranthene has a molecular weight of 342.87 g/mol, XLogP of 7.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7,12-diethylbenzo[k]fluoranthene is sourced from PubChem (CID 10860822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).