6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene

C56H36N4 — CID 167285232

IUPAC6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
SMILESc1ccc(C2c3cccc4ccc5c(c34)c3c(cccc3n5-c3nc4ccccc4nc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C56H36N4/c1-3-15-35(16-4-1)50-42-22-13-19-37-31-34-49-54(52(37)42)53-43(51(50)36-17-5-2-6-18-36)23-14-28-48(53)60(49)56-55(57-44-24-9-10-25-45(44)58-56)38-29-32-39(33-30-38)59-46-26-11-7-20-40(46)41-21-8-12-27-47(41)59/h1-34,50-51H
InChIKeyBAKRIAHYPQNKFS-UHFFFAOYSA-N
MW764.93 g/mol
LogP13.92
Rot. Bonds5

About 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene

6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene (PubChem CID 167285232) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene.

Molecular Properties

Compound Name6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
PubChem CID167285232
Molecular FormulaC56H36N4
Molecular Weight764.93 g/mol
Exact Mass764.29
IUPAC Name6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene
SMILESc1ccc(C2c3cccc4ccc5c(c34)c3c(cccc3n5-c3nc4ccccc4nc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)C2c2ccccc2)cc1
InChIInChI=1S/C56H36N4/c1-3-15-35(16-4-1)50-42-22-13-19-37-31-34-49-54(52(37)42)53-43(51(50)36-17-5-2-6-18-36)23-14-28-48(53)60(49)56-55(57-44-24-9-10-25-45(44)58-56)38-29-32-39(33-30-38)59-46-26-11-7-20-40(46)41-21-8-12-27-47(41)59/h1-34,50-51H
InChIKeyBAKRIAHYPQNKFS-UHFFFAOYSA-N
XLogP13.92
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.93
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene with MolForge

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Related Compounds

12-(4-phenylphenyl)-20-[3-(4-phenylphenyl)quinoxalin-2-yl]-12,20-diazapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13(18),14,16-nonaene
CID 164807793
27-[3-(9-phenylcarbazol-2-yl)quinoxalin-2-yl]-27-azaoctacyclo[17.7.1.04,25.07,24.010,23.013,22.016,21.020,26]heptacosa-1(26),2,4(25),5,7(24),8,10(23),11,13(22),14,16(21),17,19-tridecaene
CID 162770212
7-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[c]carbazole
CID 163967651
9-naphthalen-2-yl-14-(3-naphthalen-2-ylquinoxalin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;triphenyl-[3-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)quinoxalin-2-yl]phenyl]silane;triphenyl-[4-[3-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)quinoxalin-2-yl]phenyl]silane
CID 159524824
2-benzo[c]carbazol-7-yl-5-[3-(4-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 146375178
11-phenyl-30-[4-(3-phenylquinoxalin-2-yl)phenyl]-11,30-diazaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaene
CID 166896362
10-benzo[c]carbazol-7-yl-7-(3-phenanthren-3-ylquinoxalin-2-yl)benzo[c]carbazole
CID 162481423
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
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
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
2-(9-phenylcarbazol-3-yl)-5-[3-(3-phenylphenyl)quinoxalin-2-yl]benzo[b]carbazole
CID 155114403
11-phenyl-8-[9-(3-phenylquinoxalin-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 155114491

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene?
The IUPAC name of 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene (CID 167285232) is 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene.
What is the SMILES notation for 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene?
The canonical SMILES for 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene is c1ccc(C2c3cccc4ccc5c(c34)c3c(cccc3n5-c3nc4ccccc4nc3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)C2c2ccccc2)cc1.
What is the InChIKey of 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene?
The InChIKey is BAKRIAHYPQNKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-3-15-35(16-4-1)50-42-22-13-19-37-31-34-49-54(52(37)42)53-43(51(50)36-17-5-2-6-18-36)23-14-28-48(53)60(49)56-55(57-44-24-9-10-25-45(44)58-56)38-29-32-39(33-30-38)59-46-26-11-7-20-40(46)41-21-8-12-27-47(41)59/h1-34,50-51H.
What are the key properties of 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene?
6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene has a molecular weight of 764.93 g/mol, XLogP of 13.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-carbazol-9-ylphenyl)quinoxalin-2-yl]-18,19-diphenyl-6-azapentacyclo[12.3.2.05,17.07,16.010,15]nonadeca-1(17),2,4,7(16),8,10(15),11,13-octaene is sourced from PubChem (CID 167285232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).