CID 145132459

C16H9BN2O — CID 145132459

IUPAC—
SMILES[B]c1ccc(-c2ccc3oc4ccncc4c3c2)nc1
InChIInChI=1S/C16H9BN2O/c17-11-2-3-14(19-8-11)10-1-4-15-12(7-10)13-9-18-6-5-16(13)20-15/h1-9H
InChIKeyQIERGSFZXAVWOE-UHFFFAOYSA-N
MW256.07 g/mol
LogP2.84
Rot. Bonds1

About CID 145132459

CID 145132459 (PubChem CID 145132459) has the molecular formula C16H9BN2O and a molecular weight of 256.07 g/mol.

Molecular Properties

Compound NameCID 145132459
PubChem CID145132459
Molecular FormulaC16H9BN2O
Molecular Weight256.07 g/mol
Exact Mass256.08
IUPAC Name—
SMILES[B]c1ccc(-c2ccc3oc4ccncc4c3c2)nc1
InChIInChI=1S/C16H9BN2O/c17-11-2-3-14(19-8-11)10-1-4-15-12(7-10)13-9-18-6-5-16(13)20-15/h1-9H
InChIKeyQIERGSFZXAVWOE-UHFFFAOYSA-N
XLogP2.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[3-[3-[3-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90265596
8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 90291990
6-pyridin-2-yl-[1]benzofuro[2,3-c]pyridine
CID 90140834
trimethyl-[6-(3-methyl-[1]benzofuro[3,2-c]pyridin-8-yl)-3-pyridinyl]silane
CID 170532051
6-[6-[6-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine
CID 90250427
8-[3-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine;6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-[1]benzofuro[2,3-c]pyridine;8-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]-[1]benzofuro[3,2-c]pyridine;8-[3-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine;8-[3-[3-[3-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 167677651
3-[8-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-b]pyridin-3-yl]-8-[3-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-[1]benzofuro[3,2-c]pyridine
CID 126640854
6-[8-[8-[8-([1]benzofuro[2,3-c]pyridin-6-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-[1]benzofuro[2,3-c]pyridine;butane
CID 144553602
8-[4-[6-[11-[6-[4-([1]benzofuro[3,2-c]pyridin-8-yl)phenyl]-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]pyridine
CID 165150686
(6-dibenzofuran-2-yl-3-pyridinyl)-methyl-diphenylsilane
CID 140719613
9-[8-[3,6-di(pyrazin-2-yl)carbazol-9-yl]dibenzofuran-2-yl]-3,6-di(pyrazin-2-yl)carbazole
CID 163813284
ethane;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123322356

Frequently Asked Questions

What is the IUPAC name of CID 145132459?
The IUPAC name of CID 145132459 (CID 145132459) is not available.
What is the SMILES notation for CID 145132459?
The canonical SMILES for CID 145132459 is [B]c1ccc(-c2ccc3oc4ccncc4c3c2)nc1.
What is the InChIKey of CID 145132459?
The InChIKey is QIERGSFZXAVWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BN2O/c17-11-2-3-14(19-8-11)10-1-4-15-12(7-10)13-9-18-6-5-16(13)20-15/h1-9H.
What are the key properties of CID 145132459?
CID 145132459 has a molecular weight of 256.07 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145132459 is sourced from PubChem (CID 145132459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).