8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

C147H91B3N10O3 — CID 157166177

IUPAC8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCCOc1ccc2c(c1)cc(-c1ccc3c(c1)B(c1ccc(-n4c5ccccc5c5ccccc54)c4ncccc14)c1cccc4nccc-3c14)c1ccccc12.c1ccc(-c2ccc3c(c2)B(c2cnc(-n4c5ccccc5c5ccccc54)cn2)c2cc(-c4ccccc4)cc4ncc(-c5ccccc5)c-3c24)cc1.c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4ccccc43)c3ncccc13)c1cccc3ncc(-c4cc5occc5c5occc45)c-2c13
InChIInChI=1S/C52H34BN3O.C49H31BN4.C46H26BN3O2/c1-2-57-34-21-23-35-33(29-34)30-43(37-12-4-3-11-36(35)37)32-20-22-38-41-26-28-54-47-17-9-16-45(51(41)47)53(46(38)31-32)44-24-25-50(52-42(44)15-10-27-55-52)56-48-18-7-5-13-39(48)40-14-6-8-19-49(40)56;1-4-14-32(15-5-1)35-24-25-39-41(26-35)50(46-30-53-47(31-52-46)54-44-22-12-10-20-37(44)38-21-11-13-23-45(38)54)42-27-36(33-16-6-2-7-17-33)28-43-49(42)48(39)40(29-51-43)34-18-8-3-9-19-34;1-4-13-35-30(11-1)43-34(33-25-42-32(21-23-51-42)46-29(33)20-24-52-46)26-49-38-15-7-14-37(44(38)43)47(35)36-18-19-41(45-31(36)12-8-22-48-45)50-39-16-5-2-9-27(39)28-10-3-6-17-40(28)50/h3-31H,2H2,1H3;1-31H;1-26H
InChIKeyAMYALCMVEMYWAV-UHFFFAOYSA-N
MW2077.85 g/mol
LogP29.90
Rot. Bonds13

About 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene

8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (PubChem CID 157166177) has the molecular formula C147H91B3N10O3 and a molecular weight of 2077.85 g/mol. Its IUPAC name is 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.

Molecular Properties

Compound Name8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
PubChem CID157166177
Molecular FormulaC147H91B3N10O3
Molecular Weight2077.85 g/mol
Exact Mass2076.76
IUPAC Name8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
SMILESCCOc1ccc2c(c1)cc(-c1ccc3c(c1)B(c1ccc(-n4c5ccccc5c5ccccc54)c4ncccc14)c1cccc4nccc-3c14)c1ccccc12.c1ccc(-c2ccc3c(c2)B(c2cnc(-n4c5ccccc5c5ccccc54)cn2)c2cc(-c4ccccc4)cc4ncc(-c5ccccc5)c-3c24)cc1.c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4ccccc43)c3ncccc13)c1cccc3ncc(-c4cc5occc5c5occc45)c-2c13
InChIInChI=1S/C52H34BN3O.C49H31BN4.C46H26BN3O2/c1-2-57-34-21-23-35-33(29-34)30-43(37-12-4-3-11-36(35)37)32-20-22-38-41-26-28-54-47-17-9-16-45(51(41)47)53(46(38)31-32)44-24-25-50(52-42(44)15-10-27-55-52)56-48-18-7-5-13-39(48)40-14-6-8-19-49(40)56;1-4-14-32(15-5-1)35-24-25-39-41(26-35)50(46-30-53-47(31-52-46)54-44-22-12-10-20-37(44)38-21-11-13-23-45(38)54)42-27-36(33-16-6-2-7-17-33)28-43-49(42)48(39)40(29-51-43)34-18-8-3-9-19-34;1-4-13-35-30(11-1)43-34(33-25-42-32(21-23-51-42)46-29(33)20-24-52-46)26-49-38-15-7-14-37(44(38)43)47(35)36-18-19-41(45-31(36)12-8-22-48-45)50-39-16-5-2-9-27(39)28-10-3-6-17-40(28)50/h3-31H,2H2,1H3;1-31H;1-26H
InChIKeyAMYALCMVEMYWAV-UHFFFAOYSA-N
XLogP29.90
TPSA140.53 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002077.85
LogP ≤ 529.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The IUPAC name of 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene (CID 157166177) is 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene.
What is the SMILES notation for 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The canonical SMILES for 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is CCOc1ccc2c(c1)cc(-c1ccc3c(c1)B(c1ccc(-n4c5ccccc5c5ccccc54)c4ncccc14)c1cccc4nccc-3c14)c1ccccc12.c1ccc(-c2ccc3c(c2)B(c2cnc(-n4c5ccccc5c5ccccc54)cn2)c2cc(-c4ccccc4)cc4ncc(-c5ccccc5)c-3c24)cc1.c1ccc2c(c1)B(c1ccc(-n3c4ccccc4c4ccccc43)c3ncccc13)c1cccc3ncc(-c4cc5occc5c5occc45)c-2c13.
What is the InChIKey of 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
The InChIKey is AMYALCMVEMYWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34BN3O.C49H31BN4.C46H26BN3O2/c1-2-57-34-21-23-35-33(29-34)30-43(37-12-4-3-11-36(35)37)32-20-22-38-41-26-28-54-47-17-9-16-45(51(41)47)53(46(38)31-32)44-24-25-50(52-42(44)15-10-27-55-52)56-48-18-7-5-13-39(48)40-14-6-8-19-49(40)56;1-4-14-32(15-5-1)35-24-25-39-41(26-35)50(46-30-53-47(31-52-46)54-44-22-12-10-20-37(44)38-21-11-13-23-45(38)54)42-27-36(33-16-6-2-7-17-33)28-43-49(42)48(39)40(29-51-43)34-18-8-3-9-19-34;1-4-13-35-30(11-1)43-34(33-25-42-32(21-23-51-42)46-29(33)20-24-52-46)26-49-38-15-7-14-37(44(38)43)47(35)36-18-19-41(45-31(36)12-8-22-48-45)50-39-16-5-2-9-27(39)28-10-3-6-17-40(28)50/h3-31H,2H2,1H3;1-31H;1-26H.
What are the key properties of 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene?
8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene has a molecular weight of 2077.85 g/mol, XLogP of 29.90, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-carbazol-9-ylpyrazin-2-yl)-5,11,16-triphenyl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-5-(2-ethoxyphenanthren-9-yl)-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;8-(8-carbazol-9-ylquinolin-5-yl)-16-furo[2,3-e][1]benzofuran-4-yl-14-aza-8-boratetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene is sourced from PubChem (CID 157166177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).