bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc

C62H44N6O2S2Zn — CID 162257550

About bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc

bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc (PubChem CID 162257550) has the molecular formula C62H44N6O2S2Zn and a molecular weight of 1034.60 g/mol. Its IUPAC name is bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc.

Molecular Properties

• Compound Name: bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc
• PubChem CID: 162257550
• Molecular Formula: C62H44N6O2S2Zn
• Molecular Weight: 1034.60 g/mol
• Exact Mass: 1032.23
• IUPAC Name: bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc
• SMILES: CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Zn]
• InChI: InChI=1S/C36H26N4.2C13H9NOS.Zn/c1-36(2)29-19-11-9-17-25(29)27-21-28-26-18-10-12-20-31(26)40(32(28)22-30(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h3-22H,1-2H3;2*1-8,15H
• InChIKey: NLOHVLWFIBCFFP-UHFFFAOYSA-N
• XLogP: 15.94
• TPSA: 109.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1034.60
LogP ≤ 5	15.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc?

The IUPAC name of bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc (CID 162257550) is bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc.

What is the SMILES notation for bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc?

The canonical SMILES for bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2ccccc2s1.[Zn].

What is the InChIKey of bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc?

The InChIKey is NLOHVLWFIBCFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4.2C13H9NOS.Zn/c1-36(2)29-19-11-9-17-25(29)27-21-28-26-18-10-12-20-31(26)40(32(28)22-30(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24;2*15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;/h3-22H,1-2H3;2*1-8,15H;.

What are the key properties of bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc?

bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc has a molecular weight of 1034.60 g/mol, XLogP of 15.94, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-(1,3-benzothiazol-2-yl)phenol);5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;zinc is sourced from PubChem (CID 162257550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).