11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

C206H138B3N9 — CID 159584870

About 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine

11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (PubChem CID 159584870) has the molecular formula C206H138B3N9 and a molecular weight of 2771.87 g/mol. Its IUPAC name is 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

Molecular Properties

• Compound Name: 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• PubChem CID: 159584870
• Molecular Formula: C206H138B3N9
• Molecular Weight: 2771.87 g/mol
• Exact Mass: 2770.14
• IUPAC Name: 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine
• SMILES: c1ccc(-c2c3ccccc3c(-c3cc4c5c(c3)N(c3ccccc3)c3cc(N(c6ccccc6)c6ccccc6)ccc3B5c3ccccc3N4c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5c6c(c4)N(c4ccccc4)c4cc(N(c7ccccc7)c7ccccc7)ccc4B6c4ccccc4N5c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccccc2)c2cc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc4c2B3c2ccccc2N4c2ccccc2)cc1
• InChI: InChI=1S/2C72H48BN3.C62H42BN3/c1-6-24-49(25-7-1)56-43-44-63(58-35-17-16-34-57(56)58)71-61-38-20-18-36-59(61)70(60-37-19-21-39-62(60)71)50-46-68-72-69(47-50)76(54-32-14-5-15-33-54)67-48-55(74(51-26-8-2-9-27-51)52-28-10-3-11-29-52)42-45-65(67)73(72)64-40-22-23-41-66(64)75(68)53-30-12-4-13-31-53;1-5-24-53(25-6-1)74(54-26-7-2-8-27-54)57-44-45-65-67(48-57)76(56-30-11-4-12-31-56)69-47-52(46-68-72(69)73(65)64-38-19-20-39-66(64)75(68)55-28-9-3-10-29-55)71-62-35-17-15-33-60(62)70(61-34-16-18-36-63(61)71)51-42-40-50(41-43-51)59-37-21-23-49-22-13-14-32-58(49)59;1-6-22-43(23-7-1)60-50-32-16-18-34-52(50)61(53-35-19-17-33-51(53)60)44-40-58-62-59(41-44)66(48-30-14-5-15-31-48)57-42-49(64(45-24-8-2-9-25-45)46-26-10-3-11-27-46)38-39-55(57)63(62)54-36-20-21-37-56(54)65(58)47-28-12-4-13-29-47/h2*1-48H;1-42H
• InChIKey: MJMGKCXLQNIDGP-UHFFFAOYSA-N
• XLogP: 50.28
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2771.87
LogP ≤ 5	50.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The IUPAC name of 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine (CID 159584870) is 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine.

What is the SMILES notation for 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The canonical SMILES for 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is c1ccc(-c2c3ccccc3c(-c3cc4c5c(c3)N(c3ccccc3)c3cc(N(c6ccccc6)c6ccccc6)ccc3B5c3ccccc3N4c3ccccc3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5c6c(c4)N(c4ccccc4)c4cc(N(c7ccccc7)c7ccccc7)ccc4B6c4ccccc4N5c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)N(c2ccccc2)c2cc(-c4c5ccccc5c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc45)cc4c2B3c2ccccc2N4c2ccccc2)cc1.

What is the InChIKey of 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

The InChIKey is MJMGKCXLQNIDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C72H48BN3.C62H42BN3/c1-6-24-49(25-7-1)56-43-44-63(58-35-17-16-34-57(56)58)71-61-38-20-18-36-59(61)70(60-37-19-21-39-62(60)71)50-46-68-72-69(47-50)76(54-32-14-5-15-33-54)67-48-55(74(51-26-8-2-9-27-51)52-28-10-3-11-29-52)42-45-65(67)73(72)64-40-22-23-41-66(64)75(68)53-30-12-4-13-31-53;1-5-24-53(25-6-1)74(54-26-7-2-8-27-54)57-44-45-65-67(48-57)76(56-30-11-4-12-31-56)69-47-52(46-68-72(69)73(65)64-38-19-20-39-66(64)75(68)55-28-9-3-10-29-55)71-62-35-17-15-33-60(62)70(61-34-16-18-36-63(61)71)51-42-40-50(41-43-51)59-37-21-23-49-22-13-14-32-58(49)59;1-6-22-43(23-7-1)60-50-32-16-18-34-52(50)61(53-35-19-17-33-51(53)60)44-40-58-62-59(41-44)66(48-30-14-5-15-31-48)57-42-49(64(45-24-8-2-9-25-45)46-26-10-3-11-27-46)38-39-55(57)63(62)54-36-20-21-37-56(54)65(58)47-28-12-4-13-29-47/h2*1-48H;1-42H.

What are the key properties of 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine?

11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine has a molecular weight of 2771.87 g/mol, XLogP of 50.28, 23 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-N,N,8,14-tetraphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-(10-phenylanthracen-9-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine;N,N,8,14-tetraphenyl-11-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-amine is sourced from PubChem (CID 159584870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).