9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide

C170H126Ge4N13Pd4-3 — CID 162181855

About 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide

9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide (PubChem CID 162181855) has the molecular formula C170H126Ge4N13Pd4-3 and a molecular weight of 3067.09 g/mol. Its IUPAC name is 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide.

Molecular Properties

• Compound Name: 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide
• PubChem CID: 162181855
• Molecular Formula: C170H126Ge4N13Pd4-3
• Molecular Weight: 3067.09 g/mol
• Exact Mass: 3068.33
• IUPAC Name: 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide
• SMILES: CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[Ge]2(c1[c-]c(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc32)ccc1)c1ccccn1.CN1C=CN(c2[c-]c(-n3c4[c-]c([Ge]5(c6ccccn6)c6ccccc6C(C)(C)c6ccccc65)ccc4c4ccccc43)ccc2)[CH-]1.[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc32)cccc1[Ge](c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1c(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc32)cccc1[Ge]1(c2ccccn2)c2ccccc2-c2ccccc21
• InChI: InChI=1S/C48H41GeN3.C42H33GeN4.C40H25GeN3.C40H27GeN3.4Pd/c1-47(2,3)33-21-24-41-39(29-33)40-30-34(48(4,5)6)22-25-42(40)49(41,46-19-10-12-27-51-46)35-14-13-15-36(31-35)52-44-18-8-7-16-37(44)38-23-20-32(28-45(38)52)43-17-9-11-26-50-43;1-42(2)35-16-5-7-18-37(35)43(41-21-10-11-24-44-41,38-19-8-6-17-36(38)42)30-22-23-34-33-15-4-9-20-39(33)47(40(34)27-30)32-14-12-13-31(28-32)46-26-25-45(3)29-46;1-4-17-35-31(14-1)32-15-2-5-18-36(32)41(35,40-21-8-10-25-43-40)29-12-11-13-30(27-29)44-38-20-6-3-16-33(38)34-23-22-28(26-39(34)44)37-19-7-9-24-42-37;1-3-14-31(15-4-1)41(32-16-5-2-6-17-32,40-23-10-12-27-43-40)33-18-13-19-34(29-33)44-38-22-8-7-20-35(38)36-25-24-30(28-39(36)44)37-21-9-11-26-42-37;;;;/h7-27,29-30H,1-6H3;4-26,29H,1-3H3;1-25H;1-27H;;;;/q-2;-3;2*-2;;3*+2
• InChIKey: JGDCNDIIMBYNIG-UHFFFAOYSA-N
• XLogP: 27.34
• TPSA: 116.43 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 18
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3067.09
LogP ≤ 5	27.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide?

The IUPAC name of 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide (CID 162181855) is 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide.

What is the SMILES notation for 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide?

The canonical SMILES for 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide is CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[Ge]2(c1[c-]c(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc32)ccc1)c1ccccn1.CN1C=CN(c2[c-]c(-n3c4[c-]c([Ge]5(c6ccccn6)c6ccccc6C(C)(C)c6ccccc65)ccc4c4ccccc43)ccc2)[CH-]1.[Pd+2].[Pd+2].[Pd+2].[Pd].[c-]1c(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc32)cccc1[Ge](c1ccccc1)(c1ccccc1)c1ccccn1.[c-]1c(-n2c3[c-]c(-c4ccccn4)ccc3c3ccccc32)cccc1[Ge]1(c2ccccn2)c2ccccc2-c2ccccc21.

What is the InChIKey of 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide?

The InChIKey is JGDCNDIIMBYNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41GeN3.C42H33GeN4.C40H25GeN3.C40H27GeN3.4Pd/c1-47(2,3)33-21-24-41-39(29-33)40-30-34(48(4,5)6)22-25-42(40)49(41,46-19-10-12-27-51-46)35-14-13-15-36(31-35)52-44-18-8-7-16-37(44)38-23-20-32(28-45(38)52)43-17-9-11-26-50-43;1-42(2)35-16-5-7-18-37(35)43(41-21-10-11-24-44-41,38-19-8-6-17-36(38)42)30-22-23-34-33-15-4-9-20-39(33)47(40(34)27-30)32-14-12-13-31(28-32)46-26-25-45(3)29-46;1-4-17-35-31(14-1)32-15-2-5-18-36(32)41(35,40-21-8-10-25-43-40)29-12-11-13-30(27-29)44-38-20-6-3-16-33(38)34-23-22-28(26-39(34)44)37-19-7-9-24-42-37;1-3-14-31(15-4-1)41(32-16-5-2-6-17-32,40-23-10-12-27-43-40)33-18-13-19-34(29-33)44-38-22-8-7-20-35(38)36-25-24-30(28-39(36)44)37-21-9-11-26-42-37;;;;/h7-27,29-30H,1-6H3;4-26,29H,1-3H3;1-25H;1-27H;;;;/q-2;-3;2*-2;;3*+2.

What are the key properties of 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide?

9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide has a molecular weight of 3067.09 g/mol, XLogP of 27.34, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(2,8-ditert-butyl-5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-2-pyridin-2-yl-1H-carbazol-1-ide;2-(10,10-dimethyl-5-pyridin-2-ylbenzo[b][1]benzogermin-5-yl)-9-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide;diphenyl-pyridin-2-yl-[3-(2-pyridin-2-yl-1H-carbazol-1-id-9-yl)benzene-2-id-1-yl]germane;palladium;tris(palladium(2+));2-pyridin-2-yl-9-[3-(5-pyridin-2-ylbenzo[b][1]benzogermol-5-yl)benzene-2-id-1-yl]-1H-carbazol-1-ide is sourced from PubChem (CID 162181855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).