10-methyl-5,10-diphenylbenzo[b][1]benzoborinine

C26H21B — CID 171732622

IUPAC10-methyl-5,10-diphenylbenzo[b][1]benzoborinine
SMILESCC1(c2ccccc2)c2ccccc2B(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H21B/c1-26(20-12-4-2-5-13-20)22-16-8-10-18-24(22)27(21-14-6-3-7-15-21)25-19-11-9-17-23(25)26/h2-19H,1H3
InChIKeyDPGCTDZUACSLIO-UHFFFAOYSA-N
MW344.27 g/mol
LogP3.87
Rot. Bonds2

About 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine

10-methyl-5,10-diphenylbenzo[b][1]benzoborinine (PubChem CID 171732622) has the molecular formula C26H21B and a molecular weight of 344.27 g/mol. Its IUPAC name is 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine.

Molecular Properties

Compound Name10-methyl-5,10-diphenylbenzo[b][1]benzoborinine
PubChem CID171732622
Molecular FormulaC26H21B
Molecular Weight344.27 g/mol
Exact Mass344.17
IUPAC Name10-methyl-5,10-diphenylbenzo[b][1]benzoborinine
SMILESCC1(c2ccccc2)c2ccccc2B(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H21B/c1-26(20-12-4-2-5-13-20)22-16-8-10-18-24(22)27(21-14-6-3-7-15-21)25-19-11-9-17-23(25)26/h2-19H,1H3
InChIKeyDPGCTDZUACSLIO-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.27
LogP ≤ 53.87
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

5-phenylbenzo[b][1]benzoborole
CID 11424968
4,4,5,5-tetramethyl-2-[3-(10-phenylboranthren-5-yl)phenyl]-1,3,2-dioxaborolane
CID 156664622
5',10-diphenylspiro[acridine-9,10'-benzo[b][1]benzoborinine]
CID 153311869
22,22-dimethyl-14-phenyl-8-thia-1-aza-14-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 155605503
9-methyl-9,10-diphenylacridine
CID 140899029
22-methyl-8,14,22-triphenyl-8,14-diaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 163623437
9-methyl-9-phenylfluoren-4-ol
CID 139484121
10-methyl-10-phenyl-9-propan-2-yl-9H-anthracene
CID 176765593
5',8-diphenylspiro[1-aza-8-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene-14,10'-benzo[b][1]benzoborinine]
CID 155605562
22,22-dimethyl-8,8,14-triphenyl-1-aza-8-sila-14-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 155605523
10-[4'-(9,9-dimethylacridin-10-yl)-10-phenylspiro[benzo[b][1,4]benzosilaborinine-5,1'-silole]-3'-yl]-9,9-dimethylacridine
CID 155653881
3,3-dimethyl-10-phenyl-17,19-di(propan-2-yl)-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-undecaene
CID 169288350

Frequently Asked Questions

What is the IUPAC name of 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine?
The IUPAC name of 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine (CID 171732622) is 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine.
What is the SMILES notation for 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine?
The canonical SMILES for 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine is CC1(c2ccccc2)c2ccccc2B(c2ccccc2)c2ccccc21.
What is the InChIKey of 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine?
The InChIKey is DPGCTDZUACSLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21B/c1-26(20-12-4-2-5-13-20)22-16-8-10-18-24(22)27(21-14-6-3-7-15-21)25-19-11-9-17-23(25)26/h2-19H,1H3.
What are the key properties of 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine?
10-methyl-5,10-diphenylbenzo[b][1]benzoborinine has a molecular weight of 344.27 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-5,10-diphenylbenzo[b][1]benzoborinine is sourced from PubChem (CID 171732622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).