[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane

C32H30NOSi+ — CID 155637974

IUPAC[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
SMILESCc1cc2c(oc3ccccc32)c(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc[n+]2C)c1C
InChIInChI=1S/C32H30NOSi/c1-21-19-28-27-13-9-10-14-29(27)34-32(28)30(22(21)2)31-26-16-15-25(20-23(26)17-18-33(31)3)35(4,5)24-11-7-6-8-12-24/h6-20H,1-5H3/q+1
InChIKeyVWDIIMUGTPEVBD-UHFFFAOYSA-N
MW472.68 g/mol
LogP6.67
Rot. Bonds3

About [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane

[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane (PubChem CID 155637974) has the molecular formula C32H30NOSi+ and a molecular weight of 472.68 g/mol. Its IUPAC name is [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
PubChem CID155637974
Molecular FormulaC32H30NOSi+
Molecular Weight472.68 g/mol
Exact Mass472.21
IUPAC Name[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
SMILESCc1cc2c(oc3ccccc32)c(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc[n+]2C)c1C
InChIInChI=1S/C32H30NOSi/c1-21-19-28-27-13-9-10-14-29(27)34-32(28)30(22(21)2)31-26-16-15-25(20-23(26)17-18-33(31)3)35(4,5)24-11-7-6-8-12-24/h6-20H,1-5H3/q+1
InChIKeyVWDIIMUGTPEVBD-UHFFFAOYSA-N
XLogP6.67
TPSA17.02 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.68
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-tri(propan-2-yl)silane
CID 155638317
1-(2,3-dimethylnaphtho[2,3-b][1]benzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium
CID 140828026
1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium
CID 153464775
6-(2-deuteriopropan-2-yl)-1-(8,9-dimethylnaphtho[1,2-b][1]benzofuran-10-yl)-2-methylisoquinolin-2-ium
CID 158897566
2,6,7-trimethyl-8-(2-methyl-6-propylisoquinolin-2-ium-1-yl)-[1]benzofuro[2,3-b]pyridine
CID 158683158
2-methyl-1-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)isoquinolin-2-ium
CID 140827868
[1-(2,3-dimethyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-trimethylsilane
CID 155637585
7,8-dimethyl-6-(3-methylquinazolin-3-ium-4-yl)dibenzofuran-3-carbonitrile
CID 170251676
6-(cyclopentylmethyl)-1-(7-isocyano-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium
CID 154615328
[1-(3-cyclopentyl-2-methyl-5-phenylphenyl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane
CID 155638011
2,4,6,7,10-pentamethyl-15-oxa-2-aza-10-azoniahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16,18,20,22-undecaene
CID 170655309
3,14,31-trimethyl-16,19-dioxa-31-azoniaoctacyclo[15.14.1.02,15.04,13.06,11.018,26.020,25.028,32]dotriaconta-1(31),2,4,6,8,10,12,14,17(32),18(26),20,22,24,27,29-pentadecaene
CID 170655138

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
The IUPAC name of [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane (CID 155637974) is [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
The canonical SMILES for [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane is Cc1cc2c(oc3ccccc32)c(-c2c3ccc([Si](C)(C)c4ccccc4)cc3cc[n+]2C)c1C.
What is the InChIKey of [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
The InChIKey is VWDIIMUGTPEVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30NOSi/c1-21-19-28-27-13-9-10-14-29(27)34-32(28)30(22(21)2)31-26-16-15-25(20-23(26)17-18-33(31)3)35(4,5)24-11-7-6-8-12-24/h6-20H,1-5H3/q+1.
What are the key properties of [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane?
[1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane has a molecular weight of 472.68 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium-6-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 155637974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).