CID 123562270

C13H9B — CID 123562270

IUPAC—
SMILES[B]c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9B/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8H2
InChIKeyZHUYNHVGFJDHTA-UHFFFAOYSA-N
MW176.03 g/mol
LogP2.05
Rot. Bonds

About CID 123562270

CID 123562270 (PubChem CID 123562270) has the molecular formula C13H9B and a molecular weight of 176.03 g/mol.

Molecular Properties

Compound NameCID 123562270
PubChem CID123562270
Molecular FormulaC13H9B
Molecular Weight176.03 g/mol
Exact Mass176.08
IUPAC Name—
SMILES[B]c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9B/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8H2
InChIKeyZHUYNHVGFJDHTA-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.03
LogP ≤ 52.05
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

1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
9H-fluorene;trihydrofluoride
CID 172854917
Fluorenylsilane
CID 22104606
bis(9H-fluoren-1-yl)mercury
CID 154196677
bis(9H-fluoren-1-yl)-dimethylgermane
CID 22068853
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
chromium;9H-fluorene
CID 161167703
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
3-(9H-fluoren-1-yl)benzene-1,2-diamine
CID 66643080
10,13-dimethyltetracyclo[14.4.0.02,7.09,14]icosa-1(20),2,4,6,9,11,13,16,18-nonaene
CID 10755502

Frequently Asked Questions

What is the IUPAC name of CID 123562270?
The IUPAC name of CID 123562270 (CID 123562270) is not available.
What is the SMILES notation for CID 123562270?
The canonical SMILES for CID 123562270 is [B]c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 123562270?
The InChIKey is ZHUYNHVGFJDHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9B/c14-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8H2.
What are the key properties of CID 123562270?
CID 123562270 has a molecular weight of 176.03 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123562270 is sourced from PubChem (CID 123562270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).