1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine

C150H110B5N5 — CID 158330922

About 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine

1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine (PubChem CID 158330922) has the molecular formula C150H110B5N5 and a molecular weight of 2036.62 g/mol. Its IUPAC name is 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine.

Molecular Properties

• Compound Name: 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine
• PubChem CID: 158330922
• Molecular Formula: C150H110B5N5
• Molecular Weight: 2036.62 g/mol
• Exact Mass: 2035.92
• IUPAC Name: 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine
• SMILES: c1ccc(B2c3cccc(-c4ccccc4)c3-c3ccccc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3c(-c4ccccc4)cccc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3cc(-c4ccccc4)ccc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3ccc(-c4ccccc4)cc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3cccc(-c4ccccc4)c3N2c2ccccc2)cc1
• InChI: InChI=1S/5C30H22BN/c1-4-13-23(14-5-1)26-20-12-21-28-30(26)27-19-10-11-22-29(27)32(25-17-8-3-9-18-25)31(28)24-15-6-2-7-16-24;1-4-13-23(14-5-1)26-20-12-21-28-27-19-10-11-22-29(27)31(24-15-6-2-7-16-24)32(30(26)28)25-17-8-3-9-18-25;1-4-13-23(14-5-1)26-20-12-22-29-30(26)27-19-10-11-21-28(27)31(24-15-6-2-7-16-24)32(29)25-17-8-3-9-18-25;1-4-12-23(13-5-1)24-20-21-30-28(22-24)27-18-10-11-19-29(27)31(25-14-6-2-7-15-25)32(30)26-16-8-3-9-17-26;1-4-12-23(13-5-1)24-20-21-28-27-18-10-11-19-29(27)31(25-14-6-2-7-15-25)32(30(28)22-24)26-16-8-3-9-17-26/h5*1-22H
• InChIKey: GPZPMRRKPPFUOE-UHFFFAOYSA-N
• XLogP: 31.39
• TPSA: 16.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2036.62
LogP ≤ 5	31.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine?

The IUPAC name of 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine (CID 158330922) is 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine.

What is the SMILES notation for 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine?

The canonical SMILES for 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine is c1ccc(B2c3cccc(-c4ccccc4)c3-c3ccccc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3c(-c4ccccc4)cccc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3cc(-c4ccccc4)ccc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3ccc(-c4ccccc4)cc3N2c2ccccc2)cc1.c1ccc(B2c3ccccc3-c3cccc(-c4ccccc4)c3N2c2ccccc2)cc1.

What is the InChIKey of 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine?

The InChIKey is GPZPMRRKPPFUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/5C30H22BN/c1-4-13-23(14-5-1)26-20-12-21-28-30(26)27-19-10-11-22-29(27)32(25-17-8-3-9-18-25)31(28)24-15-6-2-7-16-24;1-4-13-23(14-5-1)26-20-12-21-28-27-19-10-11-22-29(27)31(24-15-6-2-7-16-24)32(30(26)28)25-17-8-3-9-18-25;1-4-13-23(14-5-1)26-20-12-22-29-30(26)27-19-10-11-21-28(27)31(24-15-6-2-7-16-24)32(29)25-17-8-3-9-18-25;1-4-12-23(13-5-1)24-20-21-30-28(22-24)27-18-10-11-19-29(27)31(25-14-6-2-7-15-25)32(30)26-16-8-3-9-17-26;1-4-12-23(13-5-1)24-20-21-28-27-18-10-11-19-29(27)31(25-14-6-2-7-15-25)32(30(28)22-24)26-16-8-3-9-17-26/h5*1-22H.

What are the key properties of 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine?

1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine has a molecular weight of 2036.62 g/mol, XLogP of 31.39, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5,6-triphenylbenzo[c][1,2]benzazaborinine;2,5,6-triphenylbenzo[c][1,2]benzazaborinine;3,5,6-triphenylbenzo[c][1,2]benzazaborinine;4,5,6-triphenylbenzo[c][1,2]benzazaborinine;5,6,10-triphenylbenzo[c][1,2]benzazaborinine is sourced from PubChem (CID 158330922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).