11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine

C85H58BN3Se — CID 169076930

About 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine

11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine (PubChem CID 169076930) has the molecular formula C85H58BN3Se and a molecular weight of 1211.19 g/mol. Its IUPAC name is 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine.

Molecular Properties

• Compound Name: 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine
• PubChem CID: 169076930
• Molecular Formula: C85H58BN3Se
• Molecular Weight: 1211.19 g/mol
• Exact Mass: 1211.39
• IUPAC Name: 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine
• SMILES: c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc(N(c4ccccc4)c4ccccc4)ccc3B3c4ccc(N(c5ccccc5)c5ccccc5)cc4C(c4ccccc4)(c4ccccc4)c4cc(-c5ccc6[se]c7ccccc7c6c5)cc2c43)cc1
• InChI: InChI=1S/C85H58BN3Se/c1-9-28-59(29-10-1)71-45-27-46-72(60-30-11-2-12-31-60)84(71)89-79-58-70(88(67-40-21-7-22-41-67)68-42-23-8-24-43-68)50-52-78(79)86-77-51-49-69(87(65-36-17-5-18-37-65)66-38-19-6-20-39-66)57-75(77)85(63-32-13-3-14-33-63,64-34-15-4-16-35-64)76-55-62(56-80(89)83(76)86)61-48-53-82-74(54-61)73-44-25-26-47-81(73)90-82/h1-58H
• InChIKey: HFXHZIKWLCJHMC-UHFFFAOYSA-N
• XLogP: 19.99
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1211.19
LogP ≤ 5	19.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

The IUPAC name of 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine (CID 169076930) is 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine.

What is the SMILES notation for 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

The canonical SMILES for 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine is c1ccc(-c2cccc(-c3ccccc3)c2N2c3cc(N(c4ccccc4)c4ccccc4)ccc3B3c4ccc(N(c5ccccc5)c5ccccc5)cc4C(c4ccccc4)(c4ccccc4)c4cc(-c5ccc6[se]c7ccccc7c6c5)cc2c43)cc1.

What is the InChIKey of 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

The InChIKey is HFXHZIKWLCJHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H58BN3Se/c1-9-28-59(29-10-1)71-45-27-46-72(60-30-11-2-12-31-60)84(71)89-79-58-70(88(67-40-21-7-22-41-67)68-42-23-8-24-43-68)50-52-78(79)86-77-51-49-69(87(65-36-17-5-18-37-65)66-38-19-6-20-39-66)57-75(77)85(63-32-13-3-14-33-63,64-34-15-4-16-35-64)76-55-62(56-80(89)83(76)86)61-48-53-82-74(54-61)73-44-25-26-47-81(73)90-82/h1-58H.

What are the key properties of 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine?

11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine has a molecular weight of 1211.19 g/mol, XLogP of 19.99, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 11-dibenzoselenophen-2-yl-8-(2,6-diphenylphenyl)-5-N,5-N,17-N,17-N,14,14-hexakis-phenyl-8-aza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-5,17-diamine is sourced from PubChem (CID 169076930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).