dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane

C18H18BCl2N — CID 11232757

IUPACdichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane
SMILESCC1=C(C)C(C)(B(Cl)Cl)C(c2cccc3cccnc23)=C1C
InChIInChI=1S/C18H18BCl2N/c1-11-12(2)16(18(4,13(11)3)19(20)21)15-9-5-7-14-8-6-10-22-17(14)15/h5-10H,1-4H3
InChIKeyAHBKKHZUMZLQPU-UHFFFAOYSA-N
MW330.07 g/mol
LogP6.08
Rot. Bonds2

About dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane

dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane (PubChem CID 11232757) has the molecular formula C18H18BCl2N and a molecular weight of 330.07 g/mol. Its IUPAC name is dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane.

Molecular Properties

Compound Namedichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane
PubChem CID11232757
Molecular FormulaC18H18BCl2N
Molecular Weight330.07 g/mol
Exact Mass329.09
IUPAC Namedichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane
SMILESCC1=C(C)C(C)(B(Cl)Cl)C(c2cccc3cccnc23)=C1C
InChIInChI=1S/C18H18BCl2N/c1-11-12(2)16(18(4,13(11)3)19(20)21)15-9-5-7-14-8-6-10-22-17(14)15/h5-10H,1-4H3
InChIKeyAHBKKHZUMZLQPU-UHFFFAOYSA-N
XLogP6.08
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.07
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
bis(1,10-phenanthroline);ruthenium
CID 15001085
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
1,10-phenanthroline;samarium
CID 174616745
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
8-pyridin-2-ylquinoline
CID 10982041
8-(2,4,6-trichlorophenyl)quinoline
CID 126516412
CID 11151184
CID 11151184
8-chloroquinoline;ethane
CID 142246255

Frequently Asked Questions

What is the IUPAC name of dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane?
The IUPAC name of dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane (CID 11232757) is dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane.
What is the SMILES notation for dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane?
The canonical SMILES for dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane is CC1=C(C)C(C)(B(Cl)Cl)C(c2cccc3cccnc23)=C1C.
What is the InChIKey of dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane?
The InChIKey is AHBKKHZUMZLQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BCl2N/c1-11-12(2)16(18(4,13(11)3)19(20)21)15-9-5-7-14-8-6-10-22-17(14)15/h5-10H,1-4H3.
What are the key properties of dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane?
dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane has a molecular weight of 330.07 g/mol, XLogP of 6.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(1,2,3,4-tetramethyl-5-quinolin-8-ylcyclopenta-2,4-dien-1-yl)borane is sourced from PubChem (CID 11232757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).