2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)

C65H68B2N2OPt — CID 153276212

About 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)

2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) (PubChem CID 153276212) has the molecular formula C65H68B2N2OPt and a molecular weight of 1109.97 g/mol. Its IUPAC name is 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)
• PubChem CID: 153276212
• Molecular Formula: C65H68B2N2OPt
• Molecular Weight: 1109.97 g/mol
• Exact Mass: 1109.52
• IUPAC Name: 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)
• SMILES: Cc1cccc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5c(C(C)C)cccc5C(C)C)ccn4)ccc3)c3c(c2)B(c2c(C(C)C)cccc2C(C)C)c2ccccc2B3c2c(C(C)C)cccc2C(C)C)n1.[Pt+2]
• InChI: InChI=1S/C65H68B2N2O.Pt/c1-39(2)50-24-18-25-51(40(3)4)62(50)47-33-34-68-60(37-47)46-22-17-23-49(35-46)70-61-38-48(59-32-16-21-45(13)69-59)36-58-65(61)67(64-54(43(9)10)28-20-29-55(64)44(11)12)57-31-15-14-30-56(57)66(58)63-52(41(5)6)26-19-27-53(63)42(7)8;/h14-34,36-37,39-44H,1-13H3;/q-2;+2
• InChIKey: FEDXMYMDDJBGEA-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 13
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1109.97
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)?

The IUPAC name of 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) (CID 153276212) is 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+).

What is the SMILES notation for 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)?

The canonical SMILES for 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) is Cc1cccc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5c(C(C)C)cccc5C(C)C)ccn4)ccc3)c3c(c2)B(c2c(C(C)C)cccc2C(C)C)c2ccccc2B3c2c(C(C)C)cccc2C(C)C)n1.[Pt+2].

What is the InChIKey of 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)?

The InChIKey is FEDXMYMDDJBGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H68B2N2O.Pt/c1-39(2)50-24-18-25-51(40(3)4)62(50)47-33-34-68-60(37-47)46-22-17-23-49(35-46)70-61-38-48(59-32-16-21-45(13)69-59)36-58-65(61)67(64-54(43(9)10)28-20-29-55(64)44(11)12)57-31-15-14-30-56(57)66(58)63-52(41(5)6)26-19-27-53(63)42(7)8;/h14-34,36-37,39-44H,1-13H3;/q-2;+2.

What are the key properties of 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)?

2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) has a molecular weight of 1109.97 g/mol, XLogP of 13.26, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5,10-bis[2,6-di(propan-2-yl)phenyl]-4-[3-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) is sourced from PubChem (CID 153276212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).