2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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

C203H137B6N17 — CID 167669953

About 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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 167669953) has the molecular formula C203H137B6N17 and a molecular weight of 2879.32 g/mol. Its IUPAC name is 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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: 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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: 167669953
• Molecular Formula: C203H137B6N17
• Molecular Weight: 2879.32 g/mol
• Exact Mass: 2878.18
• IUPAC Name: 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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(B2c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2N4c2ccccc2)cc1.c1ccc(B2c3ccccc3N(c3cccc4ccccc34)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2N4c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4cccnc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2cccc3cccnc23)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4cccnc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2ccccc2)cc1
• InChI: InChI=1S/C54H37B2N3.C52H35B2N3.C50H33BN6.C47H32BN5/c1-5-19-38(20-6-1)39-33-35-43(36-34-39)58-47-30-16-13-27-44(47)55(40-21-7-2-8-22-40)52-50(58)37-51-53-54(52)59(42-25-11-4-12-26-42)49-32-18-15-29-46(49)56(53)45-28-14-17-31-48(45)57(51)41-23-9-3-10-24-41;1-4-21-37(22-5-1)53-41-28-12-17-33-47(41)57(44-34-18-20-36-19-10-11-27-40(36)44)49-35-48-51-52(50(49)53)56(39-25-8-3-9-26-39)46-32-16-14-30-43(46)54(51)42-29-13-15-31-45(42)55(48)38-23-6-2-7-24-38;1-3-18-35(19-4-1)54-40-25-9-7-23-38(40)51-39-24-8-10-26-41(39)56(37-22-15-30-52-33-37)50-47(51)45(54)32-46-49(50)55(36-20-5-2-6-21-36)42-27-11-12-28-43(42)57(46)44-29-13-16-34-17-14-31-53-48(34)44;1-4-17-33(18-5-1)50-39-26-12-10-24-37(39)48-38-25-11-13-27-40(38)53(36-23-16-30-49-32-36)47-45(48)43(50)31-44-46(47)52(35-21-8-3-9-22-35)42-29-15-14-28-41(42)51(44)34-19-6-2-7-20-34/h1-37H;1-35H;1-33H;1-32H
• InChIKey: TYMUVINYWFEQJE-UHFFFAOYSA-N
• XLogP: 40.34
• TPSA: 84.03 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2879.32
LogP ≤ 5	40.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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 167669953) is 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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(B2c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2N4c2ccccc2)cc1.c1ccc(B2c3ccccc3N(c3cccc4ccccc34)c3cc4c5c(c32)N(c2ccccc2)c2ccccc2B5c2ccccc2N4c2ccccc2)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4cccnc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2cccc3cccnc23)cc1.c1ccc(N2c3ccccc3B3c4ccccc4N(c4cccnc4)c4c3c2cc2c4N(c3ccccc3)c3ccccc3N2c2ccccc2)cc1.

What is the InChIKey of 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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 TYMUVINYWFEQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37B2N3.C52H35B2N3.C50H33BN6.C47H32BN5/c1-5-19-38(20-6-1)39-33-35-43(36-34-39)58-47-30-16-13-27-44(47)55(40-21-7-2-8-22-40)52-50(58)37-51-53-54(52)59(42-25-11-4-12-26-42)49-32-18-15-29-46(49)56(53)45-28-14-17-31-48(45)57(51)41-23-9-3-10-24-41;1-4-21-37(22-5-1)53-41-28-12-17-33-47(41)57(44-34-18-20-36-19-10-11-27-40(36)44)49-35-48-51-52(50(49)53)56(39-25-8-3-9-26-39)46-32-16-14-30-43(46)54(51)42-29-13-15-31-45(42)55(48)38-23-6-2-7-24-38;1-3-18-35(19-4-1)54-40-25-9-7-23-38(40)51-39-24-8-10-26-41(39)56(37-22-15-30-52-33-37)50-47(51)45(54)32-46-49(50)55(36-20-5-2-6-21-36)42-27-11-12-28-43(42)57(46)44-29-13-16-34-17-14-31-53-48(34)44;1-4-17-33(18-5-1)50-39-26-12-10-24-37(39)48-38-25-11-13-27-40(38)53(36-23-16-30-49-32-36)47-45(48)43(50)31-44-46(47)52(35-21-8-3-9-22-35)42-29-15-14-28-41(42)51(44)34-19-6-2-7-20-34/h1-37H;1-35H;1-33H;1-32H.

What are the key properties of 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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 2879.32 g/mol, XLogP of 40.34, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,19-diphenyl-16-pyridin-3-yl-26-quinolin-8-yl-2,16,19,26-tetraza-9-boraheptacyclo[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-naphthalen-1-yl-2,16,19-triphenyl-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;2,16,19-triphenyl-26-(4-phenylphenyl)-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;2,19,26-triphenyl-16-pyridin-3-yl-2,16,19,26-tetraza-9-boraheptacyclo[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 167669953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).