11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

C212H183B2N7 — CID 161200667

About 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene

11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 161200667) has the molecular formula C212H183B2N7 and a molecular weight of 2850.47 g/mol. Its IUPAC name is 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.

Molecular Properties

• Compound Name: 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
• PubChem CID: 161200667
• Molecular Formula: C212H183B2N7
• Molecular Weight: 2850.47 g/mol
• Exact Mass: 2848.47
• IUPAC Name: 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
• SMILES: Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1-c1cccnc1)c1ccc(C(C)(C)C)cc1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1.Cc1cncc(-c2cc(C(C)(C)C)ccc2N2c3ccccc3B3c4ccccc4N(c4ccc(C(C)(C)C)cc4-c4cc(C)ccn4)c4cc(C(C)(C)C)cc2c43)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1
• InChI: InChI=1S/C54H55BN4.C52H58BN3.2C36H24.C34H22/c1-34-24-25-57-44(27-34)41-29-38(53(6,7)8)21-23-46(41)59-48-19-15-13-17-43(48)55-42-16-12-14-18-47(42)58(49-30-39(54(9,10)11)31-50(59)51(49)55)45-22-20-37(52(3,4)5)28-40(45)36-26-35(2)32-56-33-36;1-33-27-46-48-47(28-33)56(43-23-18-36(50(5,6)7)29-40(43)34-15-14-26-54-32-34)45-25-20-38(52(11,12)13)31-42(45)53(48)41-30-37(51(8,9)10)19-24-44(41)55(46)39-21-16-35(17-22-39)49(2,3)4;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36;1-2-10-25(11-3-1)27-18-21-28(22-19-27)35-31-14-6-8-16-33(31)36(34-17-9-7-15-32(34)35)30-23-20-26-12-4-5-13-29(26)24-30;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28/h12-33H,1-11H3;14-32H,1-13H3;2*1-24H;1-22H
• InChIKey: UUXYEMALHZJPBN-UHFFFAOYSA-N
• XLogP: 54.66
• TPSA: 51.63 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 15
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2850.47
LogP ≤ 5	54.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The IUPAC name of 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (CID 161200667) is 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.

What is the SMILES notation for 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The canonical SMILES for 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1-c1cccnc1)c1ccc(C(C)(C)C)cc1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1.Cc1cncc(-c2cc(C(C)(C)C)ccc2N2c3ccccc3B3c4ccccc4N(c4ccc(C(C)(C)C)cc4-c4cc(C)ccn4)c4cc(C(C)(C)C)cc2c43)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1.

What is the InChIKey of 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

The InChIKey is UUXYEMALHZJPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H55BN4.C52H58BN3.2C36H24.C34H22/c1-34-24-25-57-44(27-34)41-29-38(53(6,7)8)21-23-46(41)59-48-19-15-13-17-43(48)55-42-16-12-14-18-47(42)58(49-30-39(54(9,10)11)31-50(59)51(49)55)45-22-20-37(52(3,4)5)28-40(45)36-26-35(2)32-56-33-36;1-33-27-46-48-47(28-33)56(43-23-18-36(50(5,6)7)29-40(43)34-15-14-26-54-32-34)45-25-20-38(52(11,12)13)31-42(45)53(48)41-30-37(51(8,9)10)19-24-44(41)55(46)39-21-16-35(17-22-39)49(2,3)4;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36;1-2-10-25(11-3-1)27-18-21-28(22-19-27)35-31-14-6-8-16-33(31)36(34-17-9-7-15-32(34)35)30-23-20-26-12-4-5-13-29(26)24-30;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28/h12-33H,1-11H3;14-32H,1-13H3;2*1-24H;1-22H.

What are the key properties of 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene?

11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene has a molecular weight of 2850.47 g/mol, XLogP of 54.66, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-tert-butyl-8-[4-tert-butyl-2-(4-methyl-2-pyridinyl)phenyl]-14-[4-tert-butyl-2-(5-methyl-3-pyridinyl)phenyl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-pyridin-3-ylphenyl)-11-methyl-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;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene is sourced from PubChem (CID 161200667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).