9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+))

C152H90F4N14O2Pd4 — CID 158861010

About 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+))

9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+)) (PubChem CID 158861010) has the molecular formula C152H90F4N14O2Pd4 and a molecular weight of 2646.16 g/mol. Its IUPAC name is 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+)).

Molecular Properties

• Compound Name: 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+))
• PubChem CID: 158861010
• Molecular Formula: C152H90F4N14O2Pd4
• Molecular Weight: 2646.16 g/mol
• Exact Mass: 2642.34
• IUPAC Name: 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+))
• SMILES: FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-n2c3ccccc3c3c2ncc2c4ccccc4n(-c4ccccc4)c23)ccc1.FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-n2c3ccccc3c3c4c(cnc32)oc2ccccc24)ccc1.FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4cnc32)ccc1.FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-n2c3ccccc3c3c4oc5ccccc5c4cnc32)ccc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2]
• InChI: InChI=1S/2C41H25FN4.2C35H20FN3O.4Pd/c42-39(28-13-10-12-27(24-28)35-20-8-9-23-43-35)29-14-11-17-31(25-29)46-37-22-7-5-19-33(37)38-40-34(26-44-41(38)46)32-18-4-6-21-36(32)45(40)30-15-2-1-3-16-30;42-40(28-13-10-12-27(24-28)34-20-8-9-23-43-34)29-14-11-17-31(25-29)46-36-22-7-5-19-33(36)39-38-32-18-4-6-21-35(32)45(30-15-2-1-3-16-30)37(38)26-44-41(39)46;36-33(23-10-7-9-22(19-23)29-15-5-6-18-37-29)24-11-8-12-25(20-24)39-30-16-3-1-14-27(30)32-34-28(21-38-35(32)39)26-13-2-4-17-31(26)40-34;36-34(23-10-7-9-22(19-23)28-15-5-6-18-37-28)24-11-8-12-25(20-24)39-29-16-3-1-13-26(29)33-32-27-14-2-4-17-30(27)40-31(32)21-38-35(33)39;;;;/h1-23,26,39H;1-23,26,40H;1-18,21,33H;1-18,21,34H;;;;/q4*-2;4*+2
• InChIKey: RKGOEMRJHVXEBX-UHFFFAOYSA-N
• XLogP: 37.58
• TPSA: 158.98 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2646.16
LogP ≤ 5	37.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+))?

The IUPAC name of 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+)) (CID 158861010) is 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+)).

What is the SMILES notation for 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+))?

The canonical SMILES for 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+)) is FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-n2c3ccccc3c3c2ncc2c4ccccc4n(-c4ccccc4)c23)ccc1.FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-n2c3ccccc3c3c4c(cnc32)oc2ccccc24)ccc1.FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-n2c3ccccc3c3c4c5ccccc5n(-c5ccccc5)c4cnc32)ccc1.FC(c1[c-]c(-c2ccccn2)ccc1)c1[c-]c(-n2c3ccccc3c3c4oc5ccccc5c4cnc32)ccc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].

What is the InChIKey of 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+))?

The InChIKey is RKGOEMRJHVXEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C41H25FN4.2C35H20FN3O.4Pd/c42-39(28-13-10-12-27(24-28)35-20-8-9-23-43-35)29-14-11-17-31(25-29)46-37-22-7-5-19-33(37)38-40-34(26-44-41(38)46)32-18-4-6-21-36(32)45(40)30-15-2-1-3-16-30;42-40(28-13-10-12-27(24-28)34-20-8-9-23-43-34)29-14-11-17-31(25-29)46-36-22-7-5-19-33(36)39-38-32-18-4-6-21-35(32)45(30-15-2-1-3-16-30)37(38)26-44-41(39)46;36-33(23-10-7-9-22(19-23)29-15-5-6-18-37-29)24-11-8-12-25(20-24)39-30-16-3-1-14-27(30)32-34-28(21-38-35(32)39)26-13-2-4-17-31(26)40-34;36-34(23-10-7-9-22(19-23)28-15-5-6-18-37-28)24-11-8-12-25(20-24)39-29-16-3-1-13-26(29)33-32-27-14-2-4-17-30(27)40-31(32)21-38-35(33)39;;;;/h1-23,26,39H;1-23,26,40H;1-18,21,33H;1-18,21,34H;;;;/q4*-2;4*+2.

What are the key properties of 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+))?

9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+)) has a molecular weight of 2646.16 g/mol, XLogP of 37.58, 18 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-oxa-9,11-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-14-phenyl-9,11,14-triazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene;9-[3-[fluoro-(3-pyridin-2-ylbenzene-2-id-1-yl)methyl]benzene-2-id-1-yl]-20-phenyl-9,11,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene;tetrakis(palladium(2+)) is sourced from PubChem (CID 158861010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).