5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole

C132H80N12OS3 — CID 161163659

IUPAC5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2nc2sccn23)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2coc3nc4ccccc4n23)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)nc1sccn12.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1nc1sccn12
InChIInChI=1S/2C33H20N4S.C33H20N2O.C33H20N2S/c1-4-11-26-22(8-1)23-9-2-5-12-27(23)36(26)21-16-17-29-25(20-21)24-10-3-6-13-28(24)37(29)31-15-7-14-30-32(31)34-33-35(30)18-19-38-33;1-4-10-28-23(7-1)24-8-2-5-11-29(24)36(28)21-13-15-31-26(19-21)25-9-3-6-12-30(25)37(31)22-14-16-32-27(20-22)34-33-35(32)17-18-38-33;1-2-12-26-24(10-1)25-11-3-4-13-27(25)29-19-22(16-17-28(26)29)21-8-7-9-23(18-21)32-20-36-33-34-30-14-5-6-15-31(30)35(32)33;1-2-11-27-25(9-1)26-10-3-4-12-28(26)30-20-22(15-16-29(27)30)21-7-5-8-23(19-21)24-13-6-14-31-32(24)34-33-35(31)17-18-36-33/h2*1-20H;2*1-20H
InChIKeyUQGAEIPSCKTSME-UHFFFAOYSA-N
MW1946.38 g/mol
LogP35.70
Rot. Bonds8

About 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole

5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 161163659) has the molecular formula C132H80N12OS3 and a molecular weight of 1946.38 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID161163659
Molecular FormulaC132H80N12OS3
Molecular Weight1946.38 g/mol
Exact Mass1944.57
IUPAC Name5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2nc2sccn23)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2coc3nc4ccccc4n23)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)nc1sccn12.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1nc1sccn12
InChIInChI=1S/2C33H20N4S.C33H20N2O.C33H20N2S/c1-4-11-26-22(8-1)23-9-2-5-12-27(23)36(26)21-16-17-29-25(20-21)24-10-3-6-13-28(24)37(29)31-15-7-14-30-32(31)34-33-35(30)18-19-38-33;1-4-10-28-23(7-1)24-8-2-5-11-29(24)36(28)21-13-15-31-26(19-21)25-9-3-6-12-30(25)37(31)22-14-16-32-27(20-22)34-33-35(32)17-18-38-33;1-2-12-26-24(10-1)25-11-3-4-13-27(25)29-19-22(16-17-28(26)29)21-8-7-9-23(18-21)32-20-36-33-34-30-14-5-6-15-31(30)35(32)33;1-2-11-27-25(9-1)26-10-3-4-12-28(26)30-20-22(15-16-29(27)30)21-7-5-8-23(19-21)24-13-6-14-31-32(24)34-33-35(31)17-18-36-33/h2*1-20H;2*1-20H
InChIKeyUQGAEIPSCKTSME-UHFFFAOYSA-N
XLogP35.70
TPSA102.06 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001946.38
LogP ≤ 535.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole with MolForge

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Related Compounds

2-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;2-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole
CID 158995824
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 146226350
8-[9-[9-[2-[2-(benzimidazolo[2,1-b][1,3]benzothiazol-7-yl)phenyl]phenyl]carbazol-3-yl]carbazol-2-yl]-4-[2-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 146632847
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,6-diphenylcarbazole;9-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-1-yl]-2,7-diphenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole;9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3-triphenylen-2-ylcarbazole
CID 160507007
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]triphenylen-2-yl]-3-phenylcarbazole
CID 148701272
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(4-phenylphenyl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 164968359
9-[4-(3-phenylphenyl)phenyl]-3-[4-[3-[4-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]phenyl]quinoxalin-2-yl]phenyl]carbazole
CID 59702563
3-(3-carbazol-9-ylphenyl)-9-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 170060135
7-[5-[9-[3-(4,6-diphenylquinazolin-2-yl)-5-phenylphenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-2-yl]-5-phenyl-2-[9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole
CID 139315805
3-(2-carbazol-9-ylphenyl)-9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 170060036
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole (CID 161163659) is 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cccc3c2nc2sccn23)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2coc3nc4ccccc4n23)c1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)nc1sccn12.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1nc1sccn12.
What is the InChIKey of 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is UQGAEIPSCKTSME-UHFFFAOYSA-N. The full InChI is InChI=1S/2C33H20N4S.C33H20N2O.C33H20N2S/c1-4-11-26-22(8-1)23-9-2-5-12-27(23)36(26)21-16-17-29-25(20-21)24-10-3-6-13-28(24)37(29)31-15-7-14-30-32(31)34-33-35(30)18-19-38-33;1-4-10-28-23(7-1)24-8-2-5-11-29(24)36(28)21-13-15-31-26(19-21)25-9-3-6-12-30(25)37(31)22-14-16-32-27(20-22)34-33-35(32)17-18-38-33;1-2-12-26-24(10-1)25-11-3-4-13-27(25)29-19-22(16-17-28(26)29)21-8-7-9-23(18-21)32-20-36-33-34-30-14-5-6-15-31(30)35(32)33;1-2-11-27-25(9-1)26-10-3-4-12-28(26)30-20-22(15-16-29(27)30)21-7-5-8-23(19-21)24-13-6-14-31-32(24)34-33-35(31)17-18-36-33/h2*1-20H;2*1-20H.
What are the key properties of 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole?
5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 1946.38 g/mol, XLogP of 35.70, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]thiazolo[3,2-a]benzimidazole;1-(3-triphenylen-2-ylphenyl)-[1,3]oxazolo[3,2-a]benzimidazole;5-(3-triphenylen-2-ylphenyl)-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 161163659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).