15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole

C170H108N12O — CID 161458434

IUPAC15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C58H36N4O.C58H38N4.C54H34N4/c1-6-18-37(19-7-1)41-30-31-43-46-35-47-51(61(42-26-14-5-15-27-42)48-33-32-45-44-28-16-17-29-52(44)63-57(45)53(47)48)36-50(46)62(49(43)34-41)58-56(40-24-12-4-13-25-40)59-54(38-20-8-2-9-21-38)55(60-58)39-22-10-3-11-23-39;1-6-18-39(19-7-1)45-30-33-48-50-37-44(43-31-34-52-49(36-43)47-28-16-17-29-51(47)61(52)46-26-14-5-15-27-46)32-35-53(50)62(54(48)38-45)58-57(42-24-12-4-13-25-42)59-55(40-20-8-2-9-21-40)56(60-58)41-22-10-3-11-23-41;1-4-14-35(15-5-1)40-24-28-43-44-32-38(26-29-48(44)58(51(43)34-40)54-53(37-17-6-2-7-18-37)55-46-22-12-13-23-47(46)56-54)39-27-30-49-45(33-39)52-42-21-11-10-16-36(42)25-31-50(52)57(49)41-19-8-3-9-20-41/h1-36H;1-38H;1-34H
InChIKeyWBLYNDQESOKRNP-UHFFFAOYSA-N
MW2334.82 g/mol
LogP44.22
Rot. Bonds18

About 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole

15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole (PubChem CID 161458434) has the molecular formula C170H108N12O and a molecular weight of 2334.82 g/mol. Its IUPAC name is 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole.

Molecular Properties

Compound Name15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole
PubChem CID161458434
Molecular FormulaC170H108N12O
Molecular Weight2334.82 g/mol
Exact Mass2332.88
IUPAC Name15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)c3c2)cc1
InChIInChI=1S/C58H36N4O.C58H38N4.C54H34N4/c1-6-18-37(19-7-1)41-30-31-43-46-35-47-51(61(42-26-14-5-15-27-42)48-33-32-45-44-28-16-17-29-52(44)63-57(45)53(47)48)36-50(46)62(49(43)34-41)58-56(40-24-12-4-13-25-40)59-54(38-20-8-2-9-21-38)55(60-58)39-22-10-3-11-23-39;1-6-18-39(19-7-1)45-30-33-48-50-37-44(43-31-34-52-49(36-43)47-28-16-17-29-51(47)61(52)46-26-14-5-15-27-46)32-35-53(50)62(54(48)38-45)58-57(42-24-12-4-13-25-42)59-55(40-20-8-2-9-21-40)56(60-58)41-22-10-3-11-23-41;1-4-14-35(15-5-1)40-24-28-43-44-32-38(26-29-48(44)58(51(43)34-40)54-53(37-17-6-2-7-18-37)55-46-22-12-13-23-47(46)56-54)39-27-30-49-45(33-39)52-42-21-11-10-16-36(42)25-31-50(52)57(49)41-19-8-3-9-20-41/h1-36H;1-38H;1-34H
InChIKeyWBLYNDQESOKRNP-UHFFFAOYSA-N
XLogP44.22
TPSA120.06 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002334.82
LogP ≤ 544.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole with MolForge

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Related Compounds

19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15,22-diphenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene
CID 135195032
19-(5,6-diphenyl-3-pyridin-4-ylpyrazin-2-yl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
CID 135194988
3-[9-(5,6-diphenyl-3-pyridin-2-ylpyrazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;7-phenyl-10-[9-(3-pyridin-2-ylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;12-phenyl-16-(3-pyridin-2-ylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 159191973
9,12-diphenyl-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(4-phenylphenyl)quinoxalin-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 163789996
12-phenyl-16-[4-(3-phenylquinoxalin-2-yl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 134222275
2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole;3-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylquinoxalin-2-yl)carbazole
CID 157299308
methane;5-[4-(4-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole;7-phenyl-10-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole;24-(4-phenylquinazolin-2-yl)-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 159012410
2-dibenzofuran-4-yl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;methane;9-phenyl-7-(3-phenylquinoxalin-2-yl)benzo[c]carbazole
CID 165046011
12-(4-phenylphenyl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-(4-phenylphenyl)-16-(3-phenylquinoxalin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-[3-(3-phenylphenyl)quinoxalin-2-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;12-phenyl-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 160926050
12-phenyl-16-[2-phenyl-3-(4-phenylphenyl)quinoxalin-6-yl]-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 154952513
5-naphthalen-1-yl-2-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 121343366
2-dibenzofuran-4-yl-5-[3-(5-phenylbenzo[b]carbazol-8-yl)quinoxalin-2-yl]benzo[b]carbazole
CID 147851338

Frequently Asked Questions

What is the IUPAC name of 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole?
The IUPAC name of 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole (CID 161458434) is 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole.
What is the SMILES notation for 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole?
The canonical SMILES for 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole is c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5c7ccccc7ccc5n6-c5ccccc5)ccc4n(-c4nc5ccccc5nc4-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc4n(-c4nc(-c5ccccc5)c(-c5ccccc5)nc4-c4ccccc4)c3c2)cc1.
What is the InChIKey of 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole?
The InChIKey is WBLYNDQESOKRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O.C58H38N4.C54H34N4/c1-6-18-37(19-7-1)41-30-31-43-46-35-47-51(61(42-26-14-5-15-27-42)48-33-32-45-44-28-16-17-29-52(44)63-57(45)53(47)48)36-50(46)62(49(43)34-41)58-56(40-24-12-4-13-25-40)59-54(38-20-8-2-9-21-38)55(60-58)39-22-10-3-11-23-39;1-6-18-39(19-7-1)45-30-33-48-50-37-44(43-31-34-52-49(36-43)47-28-16-17-29-51(47)61(52)46-26-14-5-15-27-46)32-35-53(50)62(54(48)38-45)58-57(42-24-12-4-13-25-42)59-55(40-20-8-2-9-21-40)56(60-58)41-22-10-3-11-23-41;1-4-14-35(15-5-1)40-24-28-43-44-32-38(26-29-48(44)58(51(43)34-40)54-53(37-17-6-2-7-18-37)55-46-22-12-13-23-47(46)56-54)39-27-30-49-45(33-39)52-42-21-11-10-16-36(42)25-31-50(52)57(49)41-19-8-3-9-20-41/h1-36H;1-38H;1-34H.
What are the key properties of 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole?
15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole has a molecular weight of 2334.82 g/mol, XLogP of 44.22, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 15,22-diphenyl-19-(3,5,6-triphenylpyrazin-2-yl)-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20(25),21,23,26-dodecaene;2-phenyl-6-(9-phenylcarbazol-3-yl)-9-(3,5,6-triphenylpyrazin-2-yl)carbazole;7-phenyl-10-[7-phenyl-9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[c]carbazole is sourced from PubChem (CID 161458434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).