CID 173380514

C16H10B2 — CID 173380514

IUPAC—
SMILES[B]C1=Cc2ccc3c4c(ccc(c24)C1)C=C([B])C3
InChIInChI=1S/C16H10B2/c17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12/h1-5,8H,6-7H2
InChIKeyDQLJLSYGXKHVQI-UHFFFAOYSA-N
MW223.88 g/mol
LogP2.97
Rot. Bonds

About CID 173380514

CID 173380514 (PubChem CID 173380514) has the molecular formula C16H10B2 and a molecular weight of 223.88 g/mol.

Molecular Properties

Compound NameCID 173380514
PubChem CID173380514
Molecular FormulaC16H10B2
Molecular Weight223.88 g/mol
Exact Mass224.10
IUPAC Name—
SMILES[B]C1=Cc2ccc3c4c(ccc(c24)C1)C=C([B])C3
InChIInChI=1S/C16H10B2/c17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12/h1-5,8H,6-7H2
InChIKeyDQLJLSYGXKHVQI-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.88
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Benzo[a]pyrene
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Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
BENZ(a)ANTHRACENE
CID 5954
7,12-Dimethylbenz(a)anthracene
CID 6001
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Chrysene
CID 9171
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119

Frequently Asked Questions

What is the IUPAC name of CID 173380514?
The IUPAC name of CID 173380514 (CID 173380514) is not available.
What is the SMILES notation for CID 173380514?
The canonical SMILES for CID 173380514 is [B]C1=Cc2ccc3c4c(ccc(c24)C1)C=C([B])C3.
What is the InChIKey of CID 173380514?
The InChIKey is DQLJLSYGXKHVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10B2/c17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12/h1-5,8H,6-7H2.
What are the key properties of CID 173380514?
CID 173380514 has a molecular weight of 223.88 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173380514 is sourced from PubChem (CID 173380514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).