2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+)

C104H75N6Rh2-4 — CID 153434536

About 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+)

2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+) (PubChem CID 153434536) has the molecular formula C104H75N6Rh2-4 and a molecular weight of 1614.60 g/mol. Its IUPAC name is 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+).

Molecular Properties

• Compound Name: 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+)
• PubChem CID: 153434536
• Molecular Formula: C104H75N6Rh2-4
• Molecular Weight: 1614.60 g/mol
• Exact Mass: 1613.42
• IUPAC Name: 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+)
• SMILES: CCc1cc(-c2ccccn2)[c-]cc1-c1ccccc1-c1cc(-c2ccc[c-]c2-c2c[c-]c(-c3ncccn3)[c-]c2)cc(-c2ccccc2-c2c[c-]c(-c3ccccn3)cc2CC)c1.CCc1cc(-c2ccccn2)[c-]cc1-c1ccccc1-c1cccc(-c2ccccc2-c2c[c-]c(-c3ccccn3)cc2CC)c1.[Rh+3].[Rh]
• InChI: InChI=1S/C60H41N4.C44H34N2.2Rh/c1-3-41-36-45(58-22-11-13-32-61-58)28-30-54(41)56-20-9-7-18-52(56)48-38-47(51-17-6-5-16-50(51)43-24-26-44(27-25-43)60-63-34-15-35-64-60)39-49(40-48)53-19-8-10-21-57(53)55-31-29-46(37-42(55)4-2)59-23-12-14-33-62-59;1-3-31-28-35(43-20-9-11-26-45-43)22-24-39(31)41-18-7-5-16-37(41)33-14-13-15-34(30-33)38-17-6-8-19-42(38)40-25-23-36(29-32(40)4-2)44-21-10-12-27-46-44;;/h5-15,17-25,30-40H,3-4H2,1-2H3;5-21,24-30H,3-4H2,1-2H3;;/q-5;-2;;+3
• InChIKey: OBBGTLQRHWESKL-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1614.60
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+)?

The IUPAC name of 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+) (CID 153434536) is 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+).

What is the SMILES notation for 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+)?

The canonical SMILES for 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+) is CCc1cc(-c2ccccn2)[c-]cc1-c1ccccc1-c1cc(-c2ccc[c-]c2-c2c[c-]c(-c3ncccn3)[c-]c2)cc(-c2ccccc2-c2c[c-]c(-c3ccccn3)cc2CC)c1.CCc1cc(-c2ccccn2)[c-]cc1-c1ccccc1-c1cccc(-c2ccccc2-c2c[c-]c(-c3ccccn3)cc2CC)c1.[Rh+3].[Rh].

What is the InChIKey of 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+)?

The InChIKey is OBBGTLQRHWESKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N4.C44H34N2.2Rh/c1-3-41-36-45(58-22-11-13-32-61-58)28-30-54(41)56-20-9-7-18-52(56)48-38-47(51-17-6-5-16-50(51)43-24-26-44(27-25-43)60-63-34-15-35-64-60)39-49(40-48)53-19-8-10-21-57(53)55-31-29-46(37-42(55)4-2)59-23-12-14-33-62-59;1-3-31-28-35(43-20-9-11-26-45-43)22-24-39(31)41-18-7-5-16-37(41)33-14-13-15-34(30-33)38-17-6-8-19-42(38)40-25-23-36(29-32(40)4-2)44-21-10-12-27-46-44;;/h5-15,17-25,30-40H,3-4H2,1-2H3;5-21,24-30H,3-4H2,1-2H3;;/q-5;-2;;+3.

What are the key properties of 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+)?

2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+) has a molecular weight of 1614.60 g/mol, XLogP of 25.59, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[3,5-bis[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]benzene-6-id-1-yl]benzene-2,6-diid-1-yl]pyrimidine;2-[3-ethyl-4-[2-[3-[2-(2-ethyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;rhodium;rhodium(3+) is sourced from PubChem (CID 153434536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).