5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine

C28H20BN — CID 140842799

IUPAC5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine
SMILESc1ccc(B2c3cc4ccccc4cc3-c3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C28H20BN/c1-3-13-23(14-4-1)29-27-20-22-12-8-7-11-21(22)19-26(27)25-17-9-10-18-28(25)30(29)24-15-5-2-6-16-24/h1-20H
InChIKeyUEIXJXMTNVGYHT-UHFFFAOYSA-N
MW381.29 g/mol
LogP5.76
Rot. Bonds2

About 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine

5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine (PubChem CID 140842799) has the molecular formula C28H20BN and a molecular weight of 381.29 g/mol. Its IUPAC name is 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine.

Molecular Properties

Compound Name5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine
PubChem CID140842799
Molecular FormulaC28H20BN
Molecular Weight381.29 g/mol
Exact Mass381.17
IUPAC Name5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine
SMILESc1ccc(B2c3cc4ccccc4cc3-c3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C28H20BN/c1-3-13-23(14-4-1)29-27-20-22-12-8-7-11-21(22)19-26(27)25-17-9-10-18-28(25)30(29)24-15-5-2-6-16-24/h1-20H
InChIKeyUEIXJXMTNVGYHT-UHFFFAOYSA-N
XLogP5.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.29
LogP ≤ 55.76
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

8-methoxy-5,6-diphenylbenzo[c][1,2]benzazaborinine
CID 140842892
5,6-diphenyl-8-(trifluoromethyl)benzo[c][1,2]benzazaborinine
CID 140842904
5-phenyl-6-(3-phenylphenyl)benzo[c][1,2]benzazaborinine
CID 140842894
2,13,14,23-tetraphenyl-2,14,23-triaza-1,13-diborahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-3,5,7,9(22),10,12(21),15(20),16,18-nonaene
CID 157443069
2-methoxy-5,6-diphenylbenzo[c][1,2]benzazaborinine
CID 148892654
9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
CID 157254105
2,5,6,9-tetraphenylbenzo[c][1,2]benzazaborinine
CID 140842889
3,5,6-triphenylbenzo[c][1,2]benzazaborinine
CID 140842797
5-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848251
7-methyl-8-(3-methylnaphthalen-2-yl)-6-(2-methylphenyl)-5,9-diphenylbenzo[c][1,2]benzazaborinine
CID 174113233
5,6-diphenyl-7-triphenylen-2-ylbenzo[c][1,2]benzazaborinine
CID 140842838
5-dibenzothiophen-2-yl-6-phenylbenzo[c][1,2]benzazaborinine
CID 147438274

Frequently Asked Questions

What is the IUPAC name of 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine?
The IUPAC name of 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine (CID 140842799) is 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine.
What is the SMILES notation for 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine?
The canonical SMILES for 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine is c1ccc(B2c3cc4ccccc4cc3-c3ccccc3N2c2ccccc2)cc1.
What is the InChIKey of 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine?
The InChIKey is UEIXJXMTNVGYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BN/c1-3-13-23(14-4-1)29-27-20-22-12-8-7-11-21(22)19-26(27)25-17-9-10-18-28(25)30(29)24-15-5-2-6-16-24/h1-20H.
What are the key properties of 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine?
5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine has a molecular weight of 381.29 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine is sourced from PubChem (CID 140842799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).