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

C126H79Cl3F9N19O8S2Zn3 — CID 160834415

IUPAC10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc
SMILESCOc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.Oc1c(/N=N/c2cccc(Oc3ccc(C(F)(F)F)cc3)n2)c2ccccc2c2ccccc12.Oc1c(/N=N/c2nc(-c3ccccc3)cs2)c2ccccc2c2ccccc12.Oc1c(/N=N/c2nc3ccccc3s2)c2ccccc2c2ccccc12.Oc1c(/N=N/c2ncc(C(F)(F)F)cc2Cl)c2ccccc2c2ccccc12.Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.[Zn].[Zn].[Zn]
InChIInChI=1S/C26H16F3N3O2.C23H15N3OS.C21H13N3OS.C20H11ClF3N3O.C19H11Cl2N3O.C17H13F3N4O2.3Zn/c27-26(28,29)16-12-14-17(15-13-16)34-23-11-5-10-22(30-23)31-32-24-20-8-3-1-6-18(20)19-7-2-4-9-21(19)25(24)33;27-22-19-13-7-5-11-17(19)16-10-4-6-12-18(16)21(22)25-26-23-24-20(14-28-23)15-8-2-1-3-9-15;25-20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)23-24-21-22-17-11-5-6-12-18(17)26-21;21-16-9-11(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;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;;;/h1-15,33H;1-14,27H;1-12,25H;1-10,28H;1-10,25H;3-8,25H,1-2H3;;;/b32-31+;26-25+;24-23+;27-26+;2*24-23+;;;
InChIKeyNYFZBCMRXSDZNF-ANSLQHRXSA-N
MW2524.79 g/mol
LogP41.36
Rot. Bonds16

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

10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc (PubChem CID 160834415) has the molecular formula C126H79Cl3F9N19O8S2Zn3 and a molecular weight of 2524.79 g/mol. Its IUPAC name is 10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc.

Molecular Properties

Compound Name10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc
PubChem CID160834415
Molecular FormulaC126H79Cl3F9N19O8S2Zn3
Molecular Weight2524.79 g/mol
Exact Mass2517.26
IUPAC Name10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc
SMILESCOc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.Oc1c(/N=N/c2cccc(Oc3ccc(C(F)(F)F)cc3)n2)c2ccccc2c2ccccc12.Oc1c(/N=N/c2nc(-c3ccccc3)cs2)c2ccccc2c2ccccc12.Oc1c(/N=N/c2nc3ccccc3s2)c2ccccc2c2ccccc12.Oc1c(/N=N/c2ncc(C(F)(F)F)cc2Cl)c2ccccc2c2ccccc12.Oc1c(/N=N/c2ncc(Cl)cc2Cl)c2ccccc2c2ccccc12.[Zn].[Zn].[Zn]
InChIInChI=1S/C26H16F3N3O2.C23H15N3OS.C21H13N3OS.C20H11ClF3N3O.C19H11Cl2N3O.C17H13F3N4O2.3Zn/c27-26(28,29)16-12-14-17(15-13-16)34-23-11-5-10-22(30-23)31-32-24-20-8-3-1-6-18(20)19-7-2-4-9-21(19)25(24)33;27-22-19-13-7-5-11-17(19)16-10-4-6-12-18(16)21(22)25-26-23-24-20(14-28-23)15-8-2-1-3-9-15;25-20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)23-24-21-22-17-11-5-6-12-18(17)26-21;21-16-9-11(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;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;;;/h1-15,33H;1-14,27H;1-12,25H;1-10,28H;1-10,25H;3-8,25H,1-2H3;;;/b32-31+;26-25+;24-23+;27-26+;2*24-23+;;;
InChIKeyNYFZBCMRXSDZNF-ANSLQHRXSA-N
XLogP41.36
TPSA378.39 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds16
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002524.79
LogP ≤ 541.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

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'}

Analyze 10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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

Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc?
The IUPAC name of 10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc (CID 160834415) is 10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc.
What is the SMILES notation for 10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc?
The canonical SMILES for 10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc is COc1nc(C)nc(/N=N/c2c(O)ccc3ccccc23)c1C(F)(F)F.Oc1c(/N=N/c2cccc(Oc3ccc(C(F)(F)F)cc3)n2)c2ccccc2c2ccccc12.Oc1c(/N=N/c2nc(-c3ccccc3)cs2)c2ccccc2c2ccccc12.Oc1c(/N=N/c2nc3ccccc3s2)c2ccccc2c2ccccc12.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-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc?
The InChIKey is NYFZBCMRXSDZNF-ANSLQHRXSA-N. The full InChI is InChI=1S/C26H16F3N3O2.C23H15N3OS.C21H13N3OS.C20H11ClF3N3O.C19H11Cl2N3O.C17H13F3N4O2.3Zn/c27-26(28,29)16-12-14-17(15-13-16)34-23-11-5-10-22(30-23)31-32-24-20-8-3-1-6-18(20)19-7-2-4-9-21(19)25(24)33;27-22-19-13-7-5-11-17(19)16-10-4-6-12-18(16)21(22)25-26-23-24-20(14-28-23)15-8-2-1-3-9-15;25-20-16-10-4-2-8-14(16)13-7-1-3-9-15(13)19(20)23-24-21-22-17-11-5-6-12-18(17)26-21;21-16-9-11(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;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;;;/h1-15,33H;1-14,27H;1-12,25H;1-10,28H;1-10,25H;3-8,25H,1-2H3;;;/b32-31+;26-25+;24-23+;27-26+;2*24-23+;;;.
What are the key properties of 10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc?
10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc has a molecular weight of 2524.79 g/mol, XLogP of 41.36, 16 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzothiazol-2-yldiazenyl)phenanthren-9-ol;10-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]diazenyl]phenanthren-9-ol;10-[(3,5-dichloro-2-pyridinyl)diazenyl]phenanthren-9-ol;1-[[6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]diazenyl]naphthalen-2-ol;10-[(4-phenyl-1,3-thiazol-2-yl)diazenyl]phenanthren-9-ol;10-[[6-[4-(trifluoromethyl)phenoxy]-2-pyridinyl]diazenyl]phenanthren-9-ol;zinc is sourced from PubChem (CID 160834415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).