(6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane

C21H25NSi2 — CID 58730079

IUPAC(6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane
SMILES[C-]#[N+]c1ccc2cc3cc([Si](C)(C)C)c([Si](C)(C)C)cc3cc2c1
InChIInChI=1S/C21H25NSi2/c1-22-19-9-8-15-10-17-13-20(23(2,3)4)21(24(5,6)7)14-18(17)11-16(15)12-19/h8-14H,2-7H3
InChIKeyHDRFWNARECNZMI-UHFFFAOYSA-N
MW347.61 g/mol
LogP5.63
Rot. Bonds2

About (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane

(6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane (PubChem CID 58730079) has the molecular formula C21H25NSi2 and a molecular weight of 347.61 g/mol. Its IUPAC name is (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane.

Molecular Properties

Compound Name(6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane
PubChem CID58730079
Molecular FormulaC21H25NSi2
Molecular Weight347.61 g/mol
Exact Mass347.15
IUPAC Name(6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane
SMILES[C-]#[N+]c1ccc2cc3cc([Si](C)(C)C)c([Si](C)(C)C)cc3cc2c1
InChIInChI=1S/C21H25NSi2/c1-22-19-9-8-15-10-17-13-20(23(2,3)4)21(24(5,6)7)14-18(17)11-16(15)12-19/h8-14H,2-7H3
InChIKeyHDRFWNARECNZMI-UHFFFAOYSA-N
XLogP5.63
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.61
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Aminoanthracene
CID 11937
9-Aminophenanthrene
CID 13695
2-Aminopyrene
CID 107762
3-Phenanthrylamine
CID 74691
2-Phenanthrenamine
CID 76893
2-Chrysenamine
CID 13092
2-(2-Isocyanophenyl)naphthalene
CID 85940351
3-Chrysenamine
CID 130803
2-Anthracenamine, N,N-dimethyl-
CID 147321
Isocyanic acid, 2-anthryl ester
CID 3014959
Anthracene, 2-azido-
CID 12235446
4-Methyl-1-anthracenamine
CID 15716473

Frequently Asked Questions

What is the IUPAC name of (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane?
The IUPAC name of (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane (CID 58730079) is (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane.
What is the SMILES notation for (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane?
The canonical SMILES for (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane is [C-]#[N+]c1ccc2cc3cc([Si](C)(C)C)c([Si](C)(C)C)cc3cc2c1.
What is the InChIKey of (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane?
The InChIKey is HDRFWNARECNZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NSi2/c1-22-19-9-8-15-10-17-13-20(23(2,3)4)21(24(5,6)7)14-18(17)11-16(15)12-19/h8-14H,2-7H3.
What are the key properties of (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane?
(6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane has a molecular weight of 347.61 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6-isocyano-3-trimethylsilylanthracen-2-yl)-trimethylsilane is sourced from PubChem (CID 58730079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).