2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc

About 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc

2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc (PubChem CID 160548948) has the molecular formula C116H79N11O2SZn2 and a molecular weight of 1821.83 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc.

Molecular Properties

Compound Name	2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc
PubChem CID	160548948
Molecular Formula	C116H79N11O2SZn2
Molecular Weight	1821.83 g/mol
Exact Mass	1817.47
IUPAC Name	2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc
SMILES	Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.[Zn].[Zn].c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1
InChI	InChI=1S/C46H30N4.C39H27N3.C18H13N3O.C13H9NOS.2Zn/c1-3-15-31(16-4-1)40-30-41(48-46(47-40)32-17-5-2-6-18-32)33-27-34(49-42-23-11-7-19-36(42)37-20-8-12-24-43(37)49)29-35(28-33)50-44-25-13-9-21-38(44)39-22-10-14-26-45(39)50;1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;/h1-30H;1-27H;1-12,22H;1-8,15H;;
InChIKey	VAKSPFIWZZQMLM-UHFFFAOYSA-N
XLogP	29.00
TPSA	158.37 Å²
H-Bond Donors	2
H-Bond Acceptors	14
Rotatable Bonds	14
Heavy Atoms	132
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1821.83
LogP ≤ 5	29.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc?

The IUPAC name of 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc (CID 160548948) is 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc.

What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc?

The canonical SMILES for 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc is Oc1ccccc1-c1nc2ccccc2s1.Oc1ccccc1-c1nc2cccnc2n1-c1ccccc1.[Zn].[Zn].c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1cncc(-c2cccc(-c3cc(-c4cccc(-c5cccnc5)c4)cc(-c4cccc(-c5cccnc5)c4)c3)c2)c1.

What is the InChIKey of 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc?

The InChIKey is VAKSPFIWZZQMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C39H27N3.C18H13N3O.C13H9NOS.2Zn/c1-3-15-31(16-4-1)40-30-41(48-46(47-40)32-17-5-2-6-18-32)33-27-34(49-42-23-11-7-19-36(42)37-20-8-12-24-43(37)49)29-35(28-33)50-44-25-13-9-21-38(44)39-22-10-14-26-45(39)50;1-7-28(34-13-4-16-40-25-34)19-31(10-1)37-22-38(32-11-2-8-29(20-32)35-14-5-17-41-26-35)24-39(23-37)33-12-3-9-30(21-33)36-15-6-18-42-27-36;22-16-11-5-4-9-14(16)17-20-15-10-6-12-19-18(15)21(17)13-7-2-1-3-8-13;15-11-7-3-1-5-9(11)13-14-10-6-2-4-8-12(10)16-13;;/h1-30H;1-27H;1-12,22H;1-8,15H;;.

What are the key properties of 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc?

2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc has a molecular weight of 1821.83 g/mol, XLogP of 29.00, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-benzothiazol-2-yl)phenol;3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;zinc is sourced from PubChem (CID 160548948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).