bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc

C164H119FIrN11O10S4Zn3- — CID 158729746

About bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc

bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc (PubChem CID 158729746) has the molecular formula C164H119FIrN11O10S4Zn3- and a molecular weight of 2939.48 g/mol. Its IUPAC name is bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc.

Molecular Properties

• Compound Name: bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc
• PubChem CID: 158729746
• Molecular Formula: C164H119FIrN11O10S4Zn3-
• Molecular Weight: 2939.48 g/mol
• Exact Mass: 2933.55
• IUPAC Name: bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc
• SMILES: CC(=O)C=C(C)O.Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.Fc1cccc2nc(-c3[c-]cccc3)ccc12.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nccs1.Oc1ccccc1-c1nccs1.[Ir].[Zn].[Zn].[Zn].c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
• InChI: InChI=1S/C38H28N2.C36H24N2.C15H9FN.2C13H9NO2.2C13H9NOS.2C9H7NOS.C5H8O2.Ir.3Zn/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;16-13-7-4-8-15-12(13)9-10-14(17-15)11-5-2-1-3-6-11;4*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;1-4(6)3-5(2)7;;;;/h3-24H,1-2H3;1-24H;1-5,7-10H;4*1-8,15H;2*1-6,11H;3,6H,1-2H3;;;;/q;;-1
• InChIKey: ZPPDEVXIABANOG-UHFFFAOYSA-N
• XLogP: 43.35
• TPSA: 294.91 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2939.48
LogP ≤ 5	43.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc?

The IUPAC name of bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc (CID 158729746) is bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc.

What is the SMILES notation for bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc?

The canonical SMILES for bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc is CC(=O)C=C(C)O.Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)cc1C.Fc1cccc2nc(-c3[c-]cccc3)ccc12.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2o1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nccs1.Oc1ccccc1-c1nccs1.[Ir].[Zn].[Zn].[Zn].c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.

What is the InChIKey of bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc?

The InChIKey is ZPPDEVXIABANOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28N2.C36H24N2.C15H9FN.2C13H9NO2.2C13H9NOS.2C9H7NOS.C5H8O2.Ir.3Zn/c1-25-23-27(39-35-15-7-3-11-31(35)32-12-4-8-16-36(32)39)19-21-29(25)30-22-20-28(24-26(30)2)40-37-17-9-5-13-33(37)34-14-6-10-18-38(34)40;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38;16-13-7-4-8-15-12(13)9-10-14(17-15)11-5-2-1-3-6-11;4*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;2*11-8-4-2-1-3-7(8)9-10-5-6-12-9;1-4(6)3-5(2)7;;;;/h3-24H,1-2H3;1-24H;1-5,7-10H;4*1-8,15H;2*1-6,11H;3,6H,1-2H3;;;;/q;;-1;;;;;;;;;;;.

What are the key properties of bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc?

bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc has a molecular weight of 2939.48 g/mol, XLogP of 43.35, 14 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(1,3-benzothiazol-2-yl)phenol);bis(2-(1,3-benzoxazol-2-yl)phenol);9-[4-(4-carbazol-9-yl-2-methylphenyl)-3-methylphenyl]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;5-fluoro-2-phenylquinoline;4-hydroxypent-3-en-2-one;iridium;bis(2-(1,3-thiazol-2-yl)phenol);zinc is sourced from PubChem (CID 158729746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).