11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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

C192H130B2N16 — CID 158190294

About 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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

11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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 (PubChem CID 158190294) has the molecular formula C192H130B2N16 and a molecular weight of 2682.89 g/mol. Its IUPAC name is 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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.

Molecular Properties

• Compound Name: 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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
• PubChem CID: 158190294
• Molecular Formula: C192H130B2N16
• Molecular Weight: 2682.89 g/mol
• Exact Mass: 2681.09
• IUPAC Name: 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc(-c3cc4c5c(c3)N(c3ccccc3)c3cc(-c6ccccc6)ccc3B5c3ccc(-c5ccccc5)cc3N4c3ccccc3)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2ccc3c(c2)N(c2ccccc2)c2cc(-c4ccc5c(c4)c4ccc(-c6ccccc6)cc4n5-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4c2B3c2ccc(-c3ccccc3)cc2N4c2ccccc2)cc1
• InChI: InChI=1S/C97H63BN8.C95H67BN8/c1-10-28-64(29-11-1)72-46-51-79-80-56-71(76-61-91-93-92(62-76)105(78-44-26-9-27-45-78)90-60-74(66-32-14-3-15-33-66)48-53-83(90)98(93)82-52-47-73(65-30-12-2-13-31-65)59-89(82)104(91)77-42-24-8-25-43-77)49-54-86(80)106(88(79)58-72)87-55-50-75(96-99-84(67-34-16-4-17-35-67)63-85(100-96)68-36-18-5-19-37-68)57-81(87)97-102-94(69-38-20-6-21-39-69)101-95(103-97)70-40-22-7-23-41-70;1-95(2,3)73-48-53-84-77(60-73)76-54-68(72-58-88-90-89(59-72)103(75-42-26-11-27-43-75)87-57-70(63-30-14-5-15-31-63)45-50-80(87)96(90)79-49-44-69(62-28-12-4-13-29-62)56-86(79)102(88)74-40-24-10-25-41-74)46-51-83(76)104(84)85-52-47-71(93-97-81(64-32-16-6-17-33-64)61-82(98-93)65-34-18-7-19-35-65)55-78(85)94-100-91(66-36-20-8-21-37-66)99-92(101-94)67-38-22-9-23-39-67/h1-63H;4-61H,1-3H3
• InChIKey: FZQZXJGQKXNOSP-UHFFFAOYSA-N
• XLogP: 44.65
• TPSA: 151.72 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2682.89
LogP ≤ 5	44.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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?

The IUPAC name of 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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 (CID 158190294) is 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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.

What is the SMILES notation for 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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?

The canonical SMILES for 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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 is CC(C)(C)c1ccc2c(c1)c1cc(-c3cc4c5c(c3)N(c3ccccc3)c3cc(-c6ccccc6)ccc3B5c3ccc(-c5ccccc5)cc3N4c3ccccc3)ccc1n2-c1ccc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2ccc3c(c2)N(c2ccccc2)c2cc(-c4ccc5c(c4)c4ccc(-c6ccccc6)cc4n5-c4ccc(-c5nc(-c6ccccc6)cc(-c6ccccc6)n5)cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4c2B3c2ccc(-c3ccccc3)cc2N4c2ccccc2)cc1.

What is the InChIKey of 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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?

The InChIKey is FZQZXJGQKXNOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H63BN8.C95H67BN8/c1-10-28-64(29-11-1)72-46-51-79-80-56-71(76-61-91-93-92(62-76)105(78-44-26-9-27-45-78)90-60-74(66-32-14-3-15-33-66)48-53-83(90)98(93)82-52-47-73(65-30-12-2-13-31-65)59-89(82)104(91)77-42-24-8-25-43-77)49-54-86(80)106(88(79)58-72)87-55-50-75(96-99-84(67-34-16-4-17-35-67)63-85(100-96)68-36-18-5-19-37-68)57-81(87)97-102-94(69-38-20-6-21-39-69)101-95(103-97)70-40-22-7-23-41-70;1-95(2,3)73-48-53-84-77(60-73)76-54-68(72-58-88-90-89(59-72)103(75-42-26-11-27-43-75)87-57-70(63-30-14-5-15-31-63)45-50-80(87)96(90)79-49-44-69(62-28-12-4-13-29-62)56-86(79)102(88)74-40-24-10-25-41-74)46-51-83(76)104(84)85-52-47-71(93-97-81(64-32-16-6-17-33-64)61-82(98-93)65-34-18-7-19-35-65)55-78(85)94-100-91(66-36-20-8-21-37-66)99-92(101-94)67-38-22-9-23-39-67/h1-63H;4-61H,1-3H3.

What are the key properties of 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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?

11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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 has a molecular weight of 2682.89 g/mol, XLogP of 44.65, 25 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[6-tert-butyl-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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;11-[9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenylcarbazol-3-yl]-5,8,14,17-tetraphenyl-8,14-diaza-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 is sourced from PubChem (CID 158190294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).