2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene

C193H127B4N15OS — CID 161482498

About 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene

2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene (PubChem CID 161482498) has the molecular formula C193H127B4N15OS and a molecular weight of 2747.56 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene.

Molecular Properties

• Compound Name: 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene
• PubChem CID: 161482498
• Molecular Formula: C193H127B4N15OS
• Molecular Weight: 2747.56 g/mol
• Exact Mass: 2746.04
• IUPAC Name: 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene
• SMILES: c1ccc(B2c3c(c4ccccc4n3-c3ccccc3)N(c3ccc4c(c3)oc3ccccc34)c3c2n(-c2ccccc2)c2ccccc32)cc1.c1ccc(B2c3c(c4ccccc4n3-c3ccccc3)N(c3ccc4c5ccccc5c5ccccc5c4c3)c3c2n(-c2ccccc2)c2ccccc32)cc1.c1ccc(B2c3c(c4ccccc4n3-c3ccccc3)N(c3ccc4sc5ccccc5c4c3)c3c2n(-c2ccccc2)c2ccccc32)cc1.c1ccc(B2c3c(c4ccccc4n3-c3ccccc3)N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3c2n(-c2ccccc2)c2ccccc32)cc1
• InChI: InChI=1S/C52H34BN3.C49H33BN6.C46H30BN3O.C46H30BN3S/c1-4-18-35(19-5-1)53-51-49(44-28-14-16-30-47(44)54(51)36-20-6-2-7-21-36)56(50-45-29-15-17-31-48(45)55(52(50)53)37-22-8-3-9-23-37)38-32-33-43-41-26-11-10-24-39(41)40-25-12-13-27-42(40)46(43)34-38;1-6-20-34(21-7-1)47-51-48(35-22-8-2-9-23-35)53-49(52-47)56-43-39-30-16-18-32-41(39)54(37-26-12-4-13-27-37)45(43)50(36-24-10-3-11-25-36)46-44(56)40-31-17-19-33-42(40)55(46)38-28-14-5-15-29-38;1-4-16-31(17-5-1)47-45-43(37-23-10-13-25-39(37)48(45)32-18-6-2-7-19-32)50(34-28-29-36-35-22-12-15-27-41(35)51-42(36)30-34)44-38-24-11-14-26-40(38)49(46(44)47)33-20-8-3-9-21-33;1-4-16-31(17-5-1)47-45-43(36-23-10-13-25-39(36)48(45)32-18-6-2-7-19-32)50(34-28-29-42-38(30-34)35-22-12-15-27-41(35)51-42)44-37-24-11-14-26-40(37)49(46(44)47)33-20-8-3-9-21-33/h1-34H;1-33H;2*1-30H
• InChIKey: WENZCVLVCWXHIX-UHFFFAOYSA-N
• XLogP: 40.74
• TPSA: 104.21 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2747.56
LogP ≤ 5	40.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene?

The IUPAC name of 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene (CID 161482498) is 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene.

What is the SMILES notation for 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene?

The canonical SMILES for 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene is c1ccc(B2c3c(c4ccccc4n3-c3ccccc3)N(c3ccc4c(c3)oc3ccccc34)c3c2n(-c2ccccc2)c2ccccc32)cc1.c1ccc(B2c3c(c4ccccc4n3-c3ccccc3)N(c3ccc4c5ccccc5c5ccccc5c4c3)c3c2n(-c2ccccc2)c2ccccc32)cc1.c1ccc(B2c3c(c4ccccc4n3-c3ccccc3)N(c3ccc4sc5ccccc5c4c3)c3c2n(-c2ccccc2)c2ccccc32)cc1.c1ccc(B2c3c(c4ccccc4n3-c3ccccc3)N(c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3c2n(-c2ccccc2)c2ccccc32)cc1.

What is the InChIKey of 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene?

The InChIKey is WENZCVLVCWXHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34BN3.C49H33BN6.C46H30BN3O.C46H30BN3S/c1-4-18-35(19-5-1)53-51-49(44-28-14-16-30-47(44)54(51)36-20-6-2-7-21-36)56(50-45-29-15-17-31-48(45)55(52(50)53)37-22-8-3-9-23-37)38-32-33-43-41-26-11-10-24-39(41)40-25-12-13-27-42(40)46(43)34-38;1-6-20-34(21-7-1)47-51-48(35-22-8-2-9-23-35)53-49(52-47)56-43-39-30-16-18-32-41(39)54(37-26-12-4-13-27-37)45(43)50(36-24-10-3-11-25-36)46-44(56)40-31-17-19-33-42(40)55(46)38-28-14-5-15-29-38;1-4-16-31(17-5-1)47-45-43(37-23-10-13-25-39(37)48(45)32-18-6-2-7-19-32)50(34-28-29-36-35-22-12-15-27-41(35)51-42(36)30-34)44-38-24-11-14-26-40(38)49(46(44)47)33-20-8-3-9-21-33;1-4-16-31(17-5-1)47-45-43(36-23-10-13-25-39(36)48(45)32-18-6-2-7-19-32)50(34-28-29-42-38(30-34)35-22-12-15-27-41(35)51-42)44-37-24-11-14-26-40(37)49(46(44)47)33-20-8-3-9-21-33/h1-34H;1-33H;2*1-30H.

What are the key properties of 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene?

2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene has a molecular weight of 2747.56 g/mol, XLogP of 40.74, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-3-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-dibenzothiophen-2-yl-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,12,14-triphenyl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene;10,12,14-triphenyl-2-triphenylen-2-yl-2,10,14-triaza-12-borapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene is sourced from PubChem (CID 161482498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).