1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline

C18H23N — CID 177264720

IUPAC1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline
SMILESCc1ccc2cccc3c2c1C(C)(C)N(C)C3(C)C
InChIInChI=1S/C18H23N/c1-12-10-11-13-8-7-9-14-15(13)16(12)18(4,5)19(6)17(14,2)3/h7-11H,1-6H3
InChIKeyIJFWEPUHSXYIEK-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.56
Rot. Bonds

About 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline

1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline (PubChem CID 177264720) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline.

Molecular Properties

Compound Name1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline
PubChem CID177264720
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline
SMILESCc1ccc2cccc3c2c1C(C)(C)N(C)C3(C)C
InChIInChI=1S/C18H23N/c1-12-10-11-13-8-7-9-14-15(13)16(12)18(4,5)19(6)17(14,2)3/h7-11H,1-6H3
InChIKeyIJFWEPUHSXYIEK-UHFFFAOYSA-N
XLogP4.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,3,3,4-pentamethyl-2H-phenalene
CID 177264595
3-[2,6-di(propan-2-yl)phenyl]-2,2,4,4,6-pentamethyl-3-phosphatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
CID 177264764
1,1,2,3,4-pentamethylphenalene
CID 173210949
2-benzyl-1,1,3,3-tetramethylbenzo[de]isoquinoline
CID 23652181
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
4,5-dimethylphenanthrene;ethane
CID 143983787
2,9-dimethylpentacyclo[8.7.1.02,9.03,8.014,18]octadeca-1(17),3,5,7,10,12,14(18),15-octaene
CID 143109674
1,8-dibromo-2-methylnaphthalene
CID 54423684
3,4-dimethylperylene
CID 20583839
1,8-dimethylnaphthalene;ethane
CID 91447117
pyrene;dihydrobromide
CID 172822251
pyrene;zirconium
CID 175873743

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline?
The IUPAC name of 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline (CID 177264720) is 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline.
What is the SMILES notation for 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline?
The canonical SMILES for 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline is Cc1ccc2cccc3c2c1C(C)(C)N(C)C3(C)C.
What is the InChIKey of 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline?
The InChIKey is IJFWEPUHSXYIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-10-11-13-8-7-9-14-15(13)16(12)18(4,5)19(6)17(14,2)3/h7-11H,1-6H3.
What are the key properties of 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline?
1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline has a molecular weight of 253.39 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,4-hexamethylbenzo[de]isoquinoline is sourced from PubChem (CID 177264720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).