5-phenylbenzo[b][1]benzoborole

C18H13B — CID 11424968

IUPAC5-phenylbenzo[b][1]benzoborole
SMILESc1ccc(B2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C18H13B/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
InChIKeyHYEZJKLAXCMMDR-UHFFFAOYSA-N
MW240.11 g/mol
LogP2.18
Rot. Bonds1

About 5-phenylbenzo[b][1]benzoborole

5-phenylbenzo[b][1]benzoborole (PubChem CID 11424968) has the molecular formula C18H13B and a molecular weight of 240.11 g/mol. Its IUPAC name is 5-phenylbenzo[b][1]benzoborole.

Molecular Properties

Compound Name5-phenylbenzo[b][1]benzoborole
PubChem CID11424968
Molecular FormulaC18H13B
Molecular Weight240.11 g/mol
Exact Mass240.11
IUPAC Name5-phenylbenzo[b][1]benzoborole
SMILESc1ccc(B2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C18H13B/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H
InChIKeyHYEZJKLAXCMMDR-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 52.18
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

11,13,14,16,17,18,20,21-octafluoro-9-phenyl-9-borahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(21),2(10),3,5,7,11,13,15,17,19,22-undecaene
CID 162733912
5-iodo-10-phenylbenzo[b][1,4]benzazaborinine
CID 174032462
11-N,11-N,17-N,17-N,14-pentakis-phenyl-14-boratetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene-11,17-diamine
CID 140863423
10,15-diphenyl-3,22-dithia-10,15-diborapentacyclo[12.8.0.02,11.04,9.016,21]docosa-1(14),2(11),4,6,8,12,16,18,20-nonaene
CID 166016057
8,22-dimethyl-5,15,25-triphenyl-5,15,25-triboraheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaene
CID 58776483
20-(2,6-diphenylphenyl)-20-borapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 168811291
10-methyl-5,10-diphenylbenzo[b][1]benzoborinine
CID 171732622
17-phenyl-15,19-dioxa-17-borahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-1(18),2,4,6,8(16),9,11,13,20,22,24-undecaene
CID 140863439
9-phenyl-16,18-di(propan-2-yl)-9-borahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1,3,5,7,10,12(22),13,15(23),16,18,20-undecaene
CID 162733926
N-methyl-10-phenyl-10-borahexacyclo[14.6.2.02,11.04,9.013,23.020,24]tetracosa-1,4,6,8,11,13(23),14,16(24),17,19,21-undecaen-3-imine
CID 169288285
8-tert-butyl-22-phenyl-8λ5-phospha-22-borapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene 8-oxide
CID 156664583
5-(3,5-diphenylphenyl)-[1]benzoborolo[3,2-b]pyridine
CID 59459803

Frequently Asked Questions

What is the IUPAC name of 5-phenylbenzo[b][1]benzoborole?
The IUPAC name of 5-phenylbenzo[b][1]benzoborole (CID 11424968) is 5-phenylbenzo[b][1]benzoborole.
What is the SMILES notation for 5-phenylbenzo[b][1]benzoborole?
The canonical SMILES for 5-phenylbenzo[b][1]benzoborole is c1ccc(B2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 5-phenylbenzo[b][1]benzoborole?
The InChIKey is HYEZJKLAXCMMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13B/c1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13H.
What are the key properties of 5-phenylbenzo[b][1]benzoborole?
5-phenylbenzo[b][1]benzoborole has a molecular weight of 240.11 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylbenzo[b][1]benzoborole is sourced from PubChem (CID 11424968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).