26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene

C212H142B8N14 — CID 167690589

About 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene

26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (PubChem CID 167690589) has the molecular formula C212H142B8N14 and a molecular weight of 2972.06 g/mol. Its IUPAC name is 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.

Molecular Properties

• Compound Name: 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
• PubChem CID: 167690589
• Molecular Formula: C212H142B8N14
• Molecular Weight: 2972.06 g/mol
• Exact Mass: 2971.23
• IUPAC Name: 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
• SMILES: c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2ccc(-c3ccccc3)cc2)cc1.c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2cccc3cc4ccccc4cc23)cc1.c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2cccc3ccccc23)cc1.c1ccc(B2c3ccccc3N(c3cccc4cccnc34)c3cc4c5c(c32)N(c2cccnc2)c2ccccc2B5c2ccccc2N4c2ccccc2)cc1
• InChI: InChI=1S/C56H37B2N3.C54H37B2N3.C52H35B2N3.C50H33B2N5/c1-4-22-41(23-5-1)57-45-28-12-13-29-46(45)58-47-30-14-15-31-50(47)59(42-24-6-2-7-25-42)56-54(58)48(57)37-53-55(56)60(43-26-8-3-9-27-43)51-32-16-17-33-52(51)61(53)49-34-18-21-40-35-38-19-10-11-20-39(38)36-44(40)49;1-5-19-38(20-6-1)39-33-35-43(36-34-39)57-49-31-17-18-32-50(49)59(42-25-11-4-12-26-42)53-51(57)37-47-52-54(53)58(41-23-9-3-10-24-41)48-30-16-15-29-46(48)56(52)45-28-14-13-27-44(45)55(47)40-21-7-2-8-22-40;1-4-21-37(22-5-1)53-41-28-12-13-29-42(41)54-43-30-14-15-31-46(43)55(38-23-6-2-7-24-38)52-50(54)44(53)35-49-51(52)56(39-25-8-3-9-26-39)47-32-16-17-33-48(47)57(49)45-34-18-20-36-19-10-11-27-40(36)45;1-3-18-35(19-4-1)51-38-23-7-12-28-43(38)57(44-29-13-16-34-17-14-31-54-49(34)44)46-32-45-48-50(47(46)51)56(37-22-15-30-53-33-37)42-27-11-9-25-40(42)52(48)39-24-8-10-26-41(39)55(45)36-20-5-2-6-21-36/h1-37H;1-37H;1-35H;1-33H
• InChIKey: WWNDXFNIJJYEDG-UHFFFAOYSA-N
• XLogP: 37.34
• TPSA: 64.66 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2972.06
LogP ≤ 5	37.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The IUPAC name of 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene (CID 167690589) is 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene.

What is the SMILES notation for 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The canonical SMILES for 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2ccc(-c3ccccc3)cc2)cc1.c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2cccc3cc4ccccc4cc23)cc1.c1ccc(B2c3ccccc3B3c4ccccc4N(c4ccccc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2cccc3ccccc23)cc1.c1ccc(B2c3ccccc3N(c3cccc4cccnc34)c3cc4c5c(c32)N(c2cccnc2)c2ccccc2B5c2ccccc2N4c2ccccc2)cc1.

What is the InChIKey of 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

The InChIKey is WWNDXFNIJJYEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37B2N3.C54H37B2N3.C52H35B2N3.C50H33B2N5/c1-4-22-41(23-5-1)57-45-28-12-13-29-46(45)58-47-30-14-15-31-50(47)59(42-24-6-2-7-25-42)56-54(58)48(57)37-53-55(56)60(43-26-8-3-9-27-43)51-32-16-17-33-52(51)61(53)49-34-18-21-40-35-38-19-10-11-20-39(38)36-44(40)49;1-5-19-38(20-6-1)39-33-35-43(36-34-39)57-49-31-17-18-32-50(49)59(42-25-11-4-12-26-42)53-51(57)37-47-52-54(53)58(41-23-9-3-10-24-41)48-30-16-15-29-46(48)56(52)45-28-14-13-27-44(45)55(47)40-21-7-2-8-22-40;1-4-21-37(22-5-1)53-41-28-12-13-29-42(41)54-43-30-14-15-31-46(43)55(38-23-6-2-7-24-38)52-50(54)44(53)35-49-51(52)56(39-25-8-3-9-26-39)47-32-16-17-33-48(47)57(49)45-34-18-20-36-19-10-11-27-40(36)45;1-3-18-35(19-4-1)51-38-23-7-12-28-43(38)57(44-29-13-16-34-17-14-31-54-49(34)44)46-32-45-48-50(47(46)51)56(37-22-15-30-53-33-37)42-27-11-9-25-40(42)52(48)39-24-8-10-26-41(39)55(45)36-20-5-2-6-21-36/h1-37H;1-37H;1-35H;1-33H.

What are the key properties of 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene?

26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene has a molecular weight of 2972.06 g/mol, XLogP of 37.34, 17 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 26-anthracen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,26-triaza-9,19-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(29),3,5,7,10,12,14,17,20,22,24,27-dodecaene;26-naphthalen-1-yl-2,16,19-triphenyl-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene;2,16,19-triphenyl-26-(4-phenylphenyl)-16,19,26-triaza-2,9-diboraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene is sourced from PubChem (CID 167690589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).