CID 88965064

C12H14BN — CID 88965064

IUPAC—
SMILES[B]n1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/C12H14BN/c1-12(2,3)11-8-9-6-4-5-7-10(9)14(11)13/h4-8H,1-3H3
InChIKeyRCKRCCYBQYRXCT-UHFFFAOYSA-N
MW183.06 g/mol
LogP2.87
Rot. Bonds

About CID 88965064

CID 88965064 (PubChem CID 88965064) has the molecular formula C12H14BN and a molecular weight of 183.06 g/mol.

Molecular Properties

Compound NameCID 88965064
PubChem CID88965064
Molecular FormulaC12H14BN
Molecular Weight183.06 g/mol
Exact Mass183.12
IUPAC Name—
SMILES[B]n1c(C(C)(C)C)cc2ccccc21
InChIInChI=1S/C12H14BN/c1-12(2,3)11-8-9-6-4-5-7-10(9)14(11)13/h4-8H,1-3H3
InChIKeyRCKRCCYBQYRXCT-UHFFFAOYSA-N
XLogP2.87
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.06
LogP ≤ 52.87
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

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2-tert-butyl-1-[4-(2-tert-butylindol-1-yl)-2-methylphenyl]indole
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CID 144505028
1-(4-tert-butylphenyl)-2-chloroindole
CID 91362505
tert-butyl 2-propan-2-ylindole-1-carboxylate
CID 71120624
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CID 140687846
4-[(2-tert-butylindol-1-yl)methyl]-N-hydroxybenzamide
CID 155533398
2-bromo-5-tert-butyl-3-methylimidazo[2,1-a]isoquinoline
CID 71180002
2,3-ditert-butylnaphthalene
CID 14173307
2,2-dimethylpropane;naphthalene
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2,6-ditert-butyl-1-cyclobutylindole
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Frequently Asked Questions

What is the IUPAC name of CID 88965064?
The IUPAC name of CID 88965064 (CID 88965064) is not available.
What is the SMILES notation for CID 88965064?
The canonical SMILES for CID 88965064 is [B]n1c(C(C)(C)C)cc2ccccc21.
What is the InChIKey of CID 88965064?
The InChIKey is RCKRCCYBQYRXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BN/c1-12(2,3)11-8-9-6-4-5-7-10(9)14(11)13/h4-8H,1-3H3.
What are the key properties of CID 88965064?
CID 88965064 has a molecular weight of 183.06 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88965064 is sourced from PubChem (CID 88965064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).