CID 174096319

C18H13B — CID 174096319

IUPAC—
SMILES[B]c1ccccc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H13B/c19-18-12-5-4-11-17(18)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H
InChIKeyACUPCKUCOMBHFB-UHFFFAOYSA-N
MW240.11 g/mol
LogP3.81
Rot. Bonds2

About CID 174096319

CID 174096319 (PubChem CID 174096319) has the molecular formula C18H13B and a molecular weight of 240.11 g/mol.

Molecular Properties

Compound NameCID 174096319
PubChem CID174096319
Molecular FormulaC18H13B
Molecular Weight240.11 g/mol
Exact Mass240.11
IUPAC Name—
SMILES[B]c1ccccc1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H13B/c19-18-12-5-4-11-17(18)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H
InChIKeyACUPCKUCOMBHFB-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 53.81
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

tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
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2-methyl-1,3-bis(3-phenylphenyl)benzene
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1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
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1,4-bis[3-(3-phenylphenyl)phenyl]benzene
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1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
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1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
bis(1,3-diphenylbenzene);ethane
CID 144938975
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189

Frequently Asked Questions

What is the IUPAC name of CID 174096319?
The IUPAC name of CID 174096319 (CID 174096319) is not available.
What is the SMILES notation for CID 174096319?
The canonical SMILES for CID 174096319 is [B]c1ccccc1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of CID 174096319?
The InChIKey is ACUPCKUCOMBHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13B/c19-18-12-5-4-11-17(18)16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H.
What are the key properties of CID 174096319?
CID 174096319 has a molecular weight of 240.11 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174096319 is sourced from PubChem (CID 174096319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).