10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc

C105H74Cl3F9N20O8Zn3 — CID 159413008

About 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc

10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc (PubChem CID 159413008) has the molecular formula C105H74Cl3F9N20O8Zn3 and a molecular weight of 2217.39 g/mol. Its IUPAC name is 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc.

Molecular Properties

• Compound Name: 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc
• PubChem CID: 159413008
• Molecular Formula: C105H74Cl3F9N20O8Zn3
• Molecular Weight: 2217.39 g/mol
• Exact Mass: 2210.28
• IUPAC Name: 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc
• SMILES: COc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.COc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1c(/N=N/c2ncc(C(F)(F)F)cc2Cl)c2ccccc2c2ccccc12.Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.[Zn].[Zn].[Zn]
• InChI: InChI=1S/C20H11ClF3N3O.C19H11Cl2N3O.2C17H13F3N4O2.2C16H13N3O.3Zn/c21-16-9-11(20(22,23)24)10-25-19(16)27-26-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)28;20-11-9-16(21)19(22-10-11)24-23-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25;2*1-9-21-15(13(17(18,19)20)16(22-9)26-2)24-23-14-11-6-4-3-5-10(11)7-8-12(14)25;2*1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)20;;;/h1-10,28H;1-10,25H;2*3-8,25H,1-2H3;2*2-10,20H,1H3;;;/b27-26+;3*24-23+;2*19-18+
• InChIKey: CACTYXOPRNGYDD-MMIVMHCJSA-N
• XLogP: 33.49
• TPSA: 391.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 14
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2217.39
LogP ≤ 5	33.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc?

The IUPAC name of 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc (CID 159413008) is 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc.

What is the SMILES notation for 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc?

The canonical SMILES for 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc is COc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.COc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Cc1cccc(/N=N/c2c(O)ccc3ccccc23)n1.Oc1c(/N=N/c2ncc(C(F)(F)F)cc2Cl)c2ccccc2c2ccccc12.Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.[Zn].[Zn].[Zn].

What is the InChIKey of 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc?

The InChIKey is CACTYXOPRNGYDD-MMIVMHCJSA-N. The full InChI is InChI=1S/C20H11ClF3N3O.C19H11Cl2N3O.2C17H13F3N4O2.2C16H13N3O.3Zn/c21-16-9-11(20(22,23)24)10-25-19(16)27-26-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)28;20-11-9-16(21)19(22-10-11)24-23-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25;2*1-9-21-15(13(17(18,19)20)16(22-9)26-2)24-23-14-11-6-4-3-5-10(11)7-8-12(14)25;2*1-11-5-4-8-15(17-11)18-19-16-13-7-3-2-6-12(13)9-10-14(16)20;;;/h1-10,28H;1-10,25H;2*3-8,25H,1-2H3;2*2-10,20H,1H3;;;/b27-26+;3*24-23+;2*19-18+;;;.

What are the key properties of 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc?

10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc has a molecular weight of 2217.39 g/mol, XLogP of 33.49, 14 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;bis(1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol);bis(1-[(6-methyl-2-pyridinyl)diazenyl]naphthalen-2-ol);zinc is sourced from PubChem (CID 159413008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).