11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile

C190H114B2N28 — CID 161120441

About 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile

11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile (PubChem CID 161120441) has the molecular formula C190H114B2N28 and a molecular weight of 2810.82 g/mol. Its IUPAC name is 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile.

Molecular Properties

• Compound Name: 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile
• PubChem CID: 161120441
• Molecular Formula: C190H114B2N28
• Molecular Weight: 2810.82 g/mol
• Exact Mass: 2809.00
• IUPAC Name: 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile
• SMILES: [C-]#[N+]c1ccc2c(c1)N(c1ccccc1)c1cc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1B2c1ccc(C#N)cc1N3c1ccccc1.[C-]#[N+]c1ccc2c(c1)N(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1B2c1ccc(C#N)cc1N3c1ccccc1
• InChI: InChI=1S/2C95H57BN14/c1-98-71-46-49-78-83(58-71)109(73-40-24-9-25-41-73)85-57-70(56-84-86(85)96(78)77-48-42-60(59-97)52-82(77)108(84)72-38-22-8-23-39-72)67-44-50-79-75(53-67)74-47-43-69(94-104-89(63-30-14-4-15-31-63)100-90(105-94)64-32-16-5-17-33-64)55-81(74)110(79)80-51-45-68(93-102-87(61-26-10-2-11-27-61)99-88(103-93)62-28-12-3-13-29-62)54-76(80)95-106-91(65-34-18-6-19-35-65)101-92(107-95)66-36-20-7-21-37-66;1-98-71-46-48-78-83(58-71)109(73-40-24-9-25-41-73)85-57-70(56-84-86(85)96(78)77-47-42-60(59-97)52-82(77)108(84)72-38-22-8-23-39-72)67-43-49-79-74(53-67)75-54-68(93-102-87(61-26-10-2-11-27-61)99-88(103-93)62-28-12-3-13-29-62)44-50-80(75)110(79)81-51-45-69(94-104-89(63-30-14-4-15-31-63)100-90(105-94)64-32-16-5-17-33-64)55-76(81)95-106-91(65-34-18-6-19-35-65)101-92(107-95)66-36-20-7-21-37-66/h2*2-58H
• InChIKey: UKWMPZQUFSQPKO-UHFFFAOYSA-N
• XLogP: 41.03
• TPSA: 311.14 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2810.82
LogP ≤ 5	41.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile?

The IUPAC name of 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile (CID 161120441) is 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile.

What is the SMILES notation for 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile?

The canonical SMILES for 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile is [C-]#[N+]c1ccc2c(c1)N(c1ccccc1)c1cc(-c3ccc4c(c3)c3cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1B2c1ccc(C#N)cc1N3c1ccccc1.[C-]#[N+]c1ccc2c(c1)N(c1ccccc1)c1cc(-c3ccc4c(c3)c3ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c1B2c1ccc(C#N)cc1N3c1ccccc1.

What is the InChIKey of 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile?

The InChIKey is UKWMPZQUFSQPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C95H57BN14/c1-98-71-46-49-78-83(58-71)109(73-40-24-9-25-41-73)85-57-70(56-84-86(85)96(78)77-48-42-60(59-97)52-82(77)108(84)72-38-22-8-23-39-72)67-44-50-79-75(53-67)74-47-43-69(94-104-89(63-30-14-4-15-31-63)100-90(105-94)64-32-16-5-17-33-64)55-81(74)110(79)80-51-45-68(93-102-87(61-26-10-2-11-27-61)99-88(103-93)62-28-12-3-13-29-62)54-76(80)95-106-91(65-34-18-6-19-35-65)101-92(107-95)66-36-20-7-21-37-66;1-98-71-46-48-78-83(58-71)109(73-40-24-9-25-41-73)85-57-70(56-84-86(85)96(78)77-47-42-60(59-97)52-82(77)108(84)72-38-22-8-23-39-72)67-43-49-79-74(53-67)75-54-68(93-102-87(61-26-10-2-11-27-61)99-88(103-93)62-28-12-3-13-29-62)44-50-80(75)110(79)81-51-45-69(94-104-89(63-30-14-4-15-31-63)100-90(105-94)64-32-16-5-17-33-64)55-76(81)95-106-91(65-34-18-6-19-35-65)101-92(107-95)66-36-20-7-21-37-66/h2*2-58H.

What are the key properties of 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile?

11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile has a molecular weight of 2810.82 g/mol, XLogP of 41.03, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile;11-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-17-isocyano-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene-5-carbonitrile is sourced from PubChem (CID 161120441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).