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

C73H60B4N2OPt — CID 153276208

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

2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) (PubChem CID 153276208) has the molecular formula C73H60B4N2OPt and a molecular weight of 1219.62 g/mol. Its IUPAC name is 2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)
• PubChem CID: 153276208
• Molecular Formula: C73H60B4N2OPt
• Molecular Weight: 1219.62 g/mol
• Exact Mass: 1219.47
• IUPAC Name: 2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)
• SMILES: Cc1cccc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc6c(c5)B(c5c(C)cccc5C)c5ccccc5B6c5c(C)cccc5C)ccn4)ccc3)c3c(c2)B(c2c(C)cccc2C)c2ccccc2B3c2c(C)cccc2C)n1.[Pt+2]
• InChI: InChI=1S/C73H60B4N2O.Pt/c1-45-20-14-21-46(2)69(45)74-59-31-10-11-32-60(59)75(70-47(3)22-15-23-48(70)4)64-41-54(36-37-63(64)74)55-38-39-78-67(43-55)56-29-19-30-58(40-56)80-68-44-57(66-35-18-28-53(9)79-66)42-65-73(68)77(72-51(7)26-17-27-52(72)8)62-34-13-12-33-61(62)76(65)71-49(5)24-16-25-50(71)6;/h10-39,41-43H,1-9H3;/q-2;+2
• InChIKey: NBALNVBPTSOTGQ-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 35.01 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1219.62
LogP ≤ 5	8.34
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-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+)?

The IUPAC name of 2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) (CID 153276208) is 2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+).

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

The canonical SMILES for 2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) is Cc1cccc(-c2[c-]c(Oc3[c-]c(-c4cc(-c5ccc6c(c5)B(c5c(C)cccc5C)c5ccccc5B6c5c(C)cccc5C)ccn4)ccc3)c3c(c2)B(c2c(C)cccc2C)c2ccccc2B3c2c(C)cccc2C)n1.[Pt+2].

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

The InChIKey is NBALNVBPTSOTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H60B4N2O.Pt/c1-45-20-14-21-46(2)69(45)74-59-31-10-11-32-60(59)75(70-47(3)22-15-23-48(70)4)64-41-54(36-37-63(64)74)55-38-39-78-67(43-55)56-29-19-30-58(40-56)80-68-44-57(66-35-18-28-53(9)79-66)42-65-73(68)77(72-51(7)26-17-27-52(72)8)62-34-13-12-33-61(62)76(65)71-49(5)24-16-25-50(71)6;/h10-39,41-43H,1-9H3;/q-2;+2.

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

2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) has a molecular weight of 1219.62 g/mol, XLogP of 8.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[4-[5,10-bis(2,6-dimethylphenyl)boranthren-2-yl]-2-pyridinyl]benzene-2-id-1-yl]oxy-5,10-bis(2,6-dimethylphenyl)-3H-boranthren-3-id-2-yl]-6-methylpyridine;platinum(2+) is sourced from PubChem (CID 153276208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).