(1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane

C24H30N2Si — CID 134834342

IUPAC(1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane
SMILESCC[Si](CC)(CC)c1nn(Cc2ccccc2)c2c1CCc1ccccc1-2
InChIInChI=1S/C24H30N2Si/c1-4-27(5-2,6-3)24-22-17-16-20-14-10-11-15-21(20)23(22)26(25-24)18-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3
InChIKeyAOPPENQONHOCTI-UHFFFAOYSA-N
MW374.60 g/mol
LogP5.41
Rot. Bonds6

About (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane

(1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane (PubChem CID 134834342) has the molecular formula C24H30N2Si and a molecular weight of 374.60 g/mol. Its IUPAC name is (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane.

Molecular Properties

Compound Name(1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane
PubChem CID134834342
Molecular FormulaC24H30N2Si
Molecular Weight374.60 g/mol
Exact Mass374.22
IUPAC Name(1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane
SMILESCC[Si](CC)(CC)c1nn(Cc2ccccc2)c2c1CCc1ccccc1-2
InChIInChI=1S/C24H30N2Si/c1-4-27(5-2,6-3)24-22-17-16-20-14-10-11-15-21(20)23(22)26(25-24)18-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3
InChIKeyAOPPENQONHOCTI-UHFFFAOYSA-N
XLogP5.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.60
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

AS-19
CID 23642275
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 16759607
Pyrazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-
CID 173777
1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile
CID 46887123
1-Ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile
CID 46887469
2-(Ethoxymethyl)-3-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g]indazole
CID 134942362
3,5-bis(4-fluorophenyl)-4-methyl-1-(2-methylbenzyl)-1H-pyrazole
CID 17025447
1-Methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
CID 18706801
1-Benzyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-diaza-1H-cyclopenta[a]naphthalene
CID 102417944
2-Benzyl-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-diaza-2H-cyclopenta[a]naphthalene
CID 102417949
4,5-Dihydro-2-methyl-3-phenyl-2h-benz[g]indazole
CID 15263230

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane?
The IUPAC name of (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane (CID 134834342) is (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane.
What is the SMILES notation for (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane?
The canonical SMILES for (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane is CC[Si](CC)(CC)c1nn(Cc2ccccc2)c2c1CCc1ccccc1-2.
What is the InChIKey of (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane?
The InChIKey is AOPPENQONHOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2Si/c1-4-27(5-2,6-3)24-22-17-16-20-14-10-11-15-21(20)23(22)26(25-24)18-19-12-8-7-9-13-19/h7-15H,4-6,16-18H2,1-3H3.
What are the key properties of (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane?
(1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane has a molecular weight of 374.60 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane is sourced from PubChem (CID 134834342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).