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

C99H60N8S3 — CID 158995824

IUPAC2-(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
SMILESc1cc(-c2ccc3c(c2)nc2sccn23)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cn3c(nc4ccccc43)s2)c1.c1ccc2c(c1)nc1sc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cn12
InChIInChI=1S/C33H20N4S.2C33H20N2S/c1-5-13-27-22(9-1)23-10-2-6-14-28(23)36(27)21-17-18-30-25(19-21)24-11-3-7-15-29(24)37(30)32-20-35-31-16-8-4-12-26(31)34-33(35)38-32;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)32-20-35-31-15-6-5-14-30(31)34-33(35)36-32;1-2-10-27-25(8-1)26-9-3-4-11-28(26)30-19-23(12-14-29(27)30)21-6-5-7-22(18-21)24-13-15-32-31(20-24)34-33-35(32)16-17-36-33/h1-20H;2*1-20H
InChIKeyJQSNNRBQXZQJFE-UHFFFAOYSA-N
MW1457.83 g/mol
LogP27.43
Rot. Bonds6

About 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

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 (PubChem CID 158995824) has the molecular formula C99H60N8S3 and a molecular weight of 1457.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158995824
Molecular FormulaC99H60N8S3
Molecular Weight1457.83 g/mol
Exact Mass1456.41
IUPAC Name2-(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
SMILESc1cc(-c2ccc3c(c2)nc2sccn23)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cn3c(nc4ccccc43)s2)c1.c1ccc2c(c1)nc1sc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cn12
InChIInChI=1S/C33H20N4S.2C33H20N2S/c1-5-13-27-22(9-1)23-10-2-6-14-28(23)36(27)21-17-18-30-25(19-21)24-11-3-7-15-29(24)37(30)32-20-35-31-16-8-4-12-26(31)34-33(35)38-32;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)32-20-35-31-15-6-5-14-30(31)34-33(35)36-32;1-2-10-27-25(8-1)26-9-3-4-11-28(26)30-19-23(12-14-29(27)30)21-6-5-7-22(18-21)24-13-15-32-31(20-24)34-33-35(32)16-17-36-33/h1-20H;2*1-20H
InChIKeyJQSNNRBQXZQJFE-UHFFFAOYSA-N
XLogP27.43
TPSA61.76 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001457.83
LogP ≤ 527.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
3,6-diphenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole;3-phenyl-9-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]carbazole
CID 160984322
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-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole
CID 145322224
9-(8-carbazol-9-yldibenzothiophen-2-yl)-3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]triphenylen-1-yl]carbazole
CID 146379800
3-[4-(22-heptacyclo[16.10.2.02,11.04,9.012,17.019,24.025,29]triaconta-1(29),2,4,6,8,10,12,14,16,18(30),19(24),20,22,25,27-pentadecaenyl)phenyl]-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 145085350
9-[3-carbazol-9-yl-5-(7-carbazol-9-yltriphenylen-2-yl)phenyl]carbazole
CID 88884836
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
9-(3-triphenylen-2-ylphenyl)carbazole
CID 88924379

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc(-c2ccc3c(c2)nc2sccn23)cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cn3c(nc4ccccc43)s2)c1.c1ccc2c(c1)nc1sc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cn12.
What is the InChIKey of 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?
The InChIKey is JQSNNRBQXZQJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4S.2C33H20N2S/c1-5-13-27-22(9-1)23-10-2-6-14-28(23)36(27)21-17-18-30-25(19-21)24-11-3-7-15-29(24)37(30)32-20-35-31-16-8-4-12-26(31)34-33(35)38-32;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)32-20-35-31-15-6-5-14-30(31)34-33(35)36-32;1-2-10-27-25(8-1)26-9-3-4-11-28(26)30-19-23(12-14-29(27)30)21-6-5-7-22(18-21)24-13-15-32-31(20-24)34-33-35(32)16-17-36-33/h1-20H;2*1-20H.
What are the key properties of 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?
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 has a molecular weight of 1457.83 g/mol, XLogP of 27.43, 6 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158995824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).