8-methylbenzo[k]fluoranthene

C21H14 — CID 13440508

IUPAC8-methylbenzo[k]fluoranthene
SMILESCc1cccc2cc3c(cc12)-c1cccc2cccc-3c12
InChIInChI=1S/C21H14/c1-13-5-2-8-15-11-19-16-9-3-6-14-7-4-10-17(21(14)16)20(19)12-18(13)15/h2-12H,1H3
InChIKeyKDFFIQCPHBYBLA-UHFFFAOYSA-N
MW266.34 g/mol
LogP5.95
Rot. Bonds

About 8-methylbenzo[k]fluoranthene

8-methylbenzo[k]fluoranthene (PubChem CID 13440508) has the molecular formula C21H14 and a molecular weight of 266.34 g/mol. Its IUPAC name is 8-methylbenzo[k]fluoranthene.

Molecular Properties

Compound Name8-methylbenzo[k]fluoranthene
PubChem CID13440508
Molecular FormulaC21H14
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name8-methylbenzo[k]fluoranthene
SMILESCc1cccc2cc3c(cc12)-c1cccc2cccc-3c12
InChIInChI=1S/C21H14/c1-13-5-2-8-15-11-19-16-9-3-6-14-7-4-10-17(21(14)16)20(19)12-18(13)15/h2-12H,1H3
InChIKeyKDFFIQCPHBYBLA-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.34
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzo[k]fluoranthene;ethane
CID 142369852
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
7,25-bis(4-tert-butyl-2,6-dimethylphenyl)decacyclo[27.7.1.111,15.02,28.04,26.05,23.08,22.010,20.033,37.019,38]octatriaconta-1(36),2,4(26),5,7,9,11,13,15(38),16,18,20,22,24,27,29,31,33(37),34-nonadecaene
CID 58471068
undecacyclo[27.11.1.111,15.02,28.04,26.05,23.08,22.010,20.030,35.037,41.019,42]dotetraconta-1(40),2(28),3,5(23),6,8,10(20),11,13,15(42),16,18,21,24,26,29(41),30,32,34,36,38-henicosaene
CID 163913395
fluoranthene
CID 139203734
ethane;fluoranthene;triphenylene
CID 160720447
3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
8-(8-methylnaphthalen-1-yl)naphthalen-1-ol
CID 157321941
13-methyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaene
CID 155378227
CID 159042007
CID 159042007
fluoranthene;toluene
CID 173324369
1-(deuteriomethyl)-8-[8-(deuteriomethyl)naphthalen-1-yl]naphthalene
CID 521436

Frequently Asked Questions

What is the IUPAC name of 8-methylbenzo[k]fluoranthene?
The IUPAC name of 8-methylbenzo[k]fluoranthene (CID 13440508) is 8-methylbenzo[k]fluoranthene.
What is the SMILES notation for 8-methylbenzo[k]fluoranthene?
The canonical SMILES for 8-methylbenzo[k]fluoranthene is Cc1cccc2cc3c(cc12)-c1cccc2cccc-3c12.
What is the InChIKey of 8-methylbenzo[k]fluoranthene?
The InChIKey is KDFFIQCPHBYBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14/c1-13-5-2-8-15-11-19-16-9-3-6-14-7-4-10-17(21(14)16)20(19)12-18(13)15/h2-12H,1H3.
What are the key properties of 8-methylbenzo[k]fluoranthene?
8-methylbenzo[k]fluoranthene has a molecular weight of 266.34 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylbenzo[k]fluoranthene is sourced from PubChem (CID 13440508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).