2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

C37H30N3OPt- — CID 164742061

About 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum

2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (PubChem CID 164742061) has the molecular formula C37H30N3OPt- and a molecular weight of 727.75 g/mol. Its IUPAC name is 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• PubChem CID: 164742061
• Molecular Formula: C37H30N3OPt-
• Molecular Weight: 727.75 g/mol
• Exact Mass: 727.20
• IUPAC Name: 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
• SMILES: CC(C)(c1ccccc1)c1cccnc1N(c1[c-]c(-c2cccc(-c3ccccc3O)n2)ccc1)c1ccccc1.[Pt]
• InChI: InChI=1S/C37H30N3O.Pt/c1-37(2,28-15-5-3-6-16-28)32-21-13-25-38-36(32)40(29-17-7-4-8-18-29)30-19-11-14-27(26-30)33-22-12-23-34(39-33)31-20-9-10-24-35(31)41;/h3-25,41H,1-2H3;/q-1
• InChIKey: ZIDUKNCIJATOPI-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.75
LogP ≤ 5	9.11
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-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The IUPAC name of 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum (CID 164742061) is 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum.

What is the SMILES notation for 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The canonical SMILES for 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is CC(C)(c1ccccc1)c1cccnc1N(c1[c-]c(-c2cccc(-c3ccccc3O)n2)ccc1)c1ccccc1.[Pt].

What is the InChIKey of 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

The InChIKey is ZIDUKNCIJATOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N3O.Pt/c1-37(2,28-15-5-3-6-16-28)32-21-13-25-38-36(32)40(29-17-7-4-8-18-29)30-19-11-14-27(26-30)33-22-12-23-34(39-33)31-20-9-10-24-35(31)41;/h3-25,41H,1-2H3;/q-1;.

What are the key properties of 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum?

2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum has a molecular weight of 727.75 g/mol, XLogP of 9.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[3-(N-[3-(2-phenylpropan-2-yl)-2-pyridinyl]anilino)benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum is sourced from PubChem (CID 164742061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).