CID 148500416

C16H9BO — CID 148500416

IUPAC—
SMILES[B]c1cc2ccccc2c2c1oc1ccccc12
InChIInChI=1S/C16H9BO/c17-13-9-10-5-1-2-6-11(10)15-12-7-3-4-8-14(12)18-16(13)15/h1-9H
InChIKeyTZKUSBZHTSRZRW-UHFFFAOYSA-N
MW228.06 g/mol
LogP3.53
Rot. Bonds

About CID 148500416

CID 148500416 (PubChem CID 148500416) has the molecular formula C16H9BO and a molecular weight of 228.06 g/mol.

Molecular Properties

Compound NameCID 148500416
PubChem CID148500416
Molecular FormulaC16H9BO
Molecular Weight228.06 g/mol
Exact Mass228.07
IUPAC Name—
SMILES[B]c1cc2ccccc2c2c1oc1ccccc12
InChIInChI=1S/C16H9BO/c17-13-9-10-5-1-2-6-11(10)15-12-7-3-4-8-14(12)18-16(13)15/h1-9H
InChIKeyTZKUSBZHTSRZRW-UHFFFAOYSA-N
XLogP3.53
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 53.53
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

6-[3-(10-phenylanthracen-9-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 86667299
CID 88536732
CID 88536732
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
6-[4-[2,3-di(ethylidene)-4-phenylnaphthalen-1-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 123620919
2-(4-naphtho[2,1-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 158469759
6-bromo-[1]benzofuro[2,3-h]isoquinoline
CID 164837106
anthra[2,1-b][1]benzofuran
CID 59403890
6-(7-chloronaphthalen-2-yl)naphtho[2,1-b][1]benzofuran
CID 177271135
1-anthracen-9-yldibenzofuran-2,3,4-triol
CID 142377523
N-benzo[c]phenanthren-5-yl-N-phenylnaphtho[2,1-b][1]benzofuran-6-amine
CID 167184155
6-[3-(9,10-diphenylanthracen-2-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 88539783
2-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 164721400

Frequently Asked Questions

What is the IUPAC name of CID 148500416?
The IUPAC name of CID 148500416 (CID 148500416) is not available.
What is the SMILES notation for CID 148500416?
The canonical SMILES for CID 148500416 is [B]c1cc2ccccc2c2c1oc1ccccc12.
What is the InChIKey of CID 148500416?
The InChIKey is TZKUSBZHTSRZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BO/c17-13-9-10-5-1-2-6-11(10)15-12-7-3-4-8-14(12)18-16(13)15/h1-9H.
What are the key properties of CID 148500416?
CID 148500416 has a molecular weight of 228.06 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 148500416 is sourced from PubChem (CID 148500416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).