2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

C54H40N3OPt- — CID 164742031

About 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum

2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (PubChem CID 164742031) has the molecular formula C54H40N3OPt- and a molecular weight of 942.01 g/mol. Its IUPAC name is 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• PubChem CID: 164742031
• Molecular Formula: C54H40N3OPt-
• Molecular Weight: 942.01 g/mol
• Exact Mass: 941.28
• IUPAC Name: 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum
• SMILES: CC(c1ccccc1)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)[c-]c(N(c2ccccn2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C54H40N3O.Pt/c1-38(39-19-6-2-7-20-39)43-33-45(50-36-44(40-21-8-3-9-22-40)37-51(56-50)49-27-14-15-30-52(49)58)35-46(34-43)57(53-31-16-17-32-55-53)54-47(41-23-10-4-11-24-41)28-18-29-48(54)42-25-12-5-13-26-42;/h2-34,36-38,58H,1H3;/q-1
• InChIKey: QYSCAEAJMKJLJW-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	942.01
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum (CID 164742031) is 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is CC(c1ccccc1)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3O)n2)[c-]c(N(c2ccccn2)c2c(-c3ccccc3)cccc2-c2ccccc2)c1.[Pt].

What is the InChIKey of 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

The InChIKey is QYSCAEAJMKJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N3O.Pt/c1-38(39-19-6-2-7-20-39)43-33-45(50-36-44(40-21-8-3-9-22-40)37-51(56-50)49-27-14-15-30-52(49)58)35-46(34-43)57(53-31-16-17-32-55-53)54-47(41-23-10-4-11-24-41)28-18-29-48(54)42-25-12-5-13-26-42;/h2-34,36-38,58H,1H3;/q-1;.

What are the key properties of 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum?

2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum has a molecular weight of 942.01 g/mol, XLogP of 13.94, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-(2,6-diphenyl-N-pyridin-2-ylanilino)-5-(1-phenylethyl)benzene-2-id-1-yl]-4-phenyl-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164742031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).